imibenconazole

CHEBI:81767 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A member of the class of imidothioates that is the S-4-chlorobenzyl thioester of N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioic acid. Used to control a range of fungal diseases affecting fruit, vegetables, turf and ornamentals. It has a low mammalian toxicity and shows a moderate level of toxicity to fish, daphnia and earthworms but is relatively non-toxic to honey bees, birds and algae. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:23697 CHEBI:23697
CHEBI:35727 CHEBI:35727
CHEBI:83403 CHEBI:83403
CHEBI:83991 CHEBI:83991
CHEBI:87067 CHEBI:87067
CHEBI:87100 CHEBI:87100

Chemical structure

Computed structure properties
Molecular formula	C17H13Cl3N4S
Charge	0
Average mass	411.745 Da
Monoisotopic mass	409.99265 Da
Source	ChEBI
InChIKey	AGKSTYPVMZODRV-UHFFFAOYSA-N

SMILES

Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1

InChI

InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2

Also called

Manage (BRAND_NAME)— chebi
4-chlorobenzyl N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioate (EXACT_SYNONYM)— chebi
(4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanimidothioate (EXACT_SYNONYM)— chebi
4-chlorobenzyl N-2,4-dichlorophenyl-2-(1H-1,2,4-triazol-1-yl)thioacetamidate (EXACT_SYNONYM)— chebi
HF 6305 (EXACT_SYNONYM)— chebi
HF 8505 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:86598-92-7
kegg.compound:C18468
patent:CN101106903
patent:CN101167455
pesticides:imibenconazole
ppdb:1026
reaxys:11339125

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:24127 CHEBI:24127
CHEBI:35718 CHEBI:35718
CHEBI:77884 CHEBI:77884
CHEBI:86328 CHEBI:86328

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:81767`	imibenconazole	`antibioticmech:chebi-87aa4d2dab`	2026-08-30

Mechanism summary

Mode of action: ERGOSTEROL_PATHWAY_INHIBITION host shared target — Assigned from ChEBI role CHEBI:75282 (ergosterol biosynthesis inhibitor), CHEBI:77884 (EC 1.14.13.70 (sterol 14α-demethylase) inhibitor). ChEBI asserts the role on the compound. The target it names is one the host has too, so the mechanism is true but is not evidence of selectivity — see mode_of_action_target_scope. Not a curator's mechanistic review.

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-31 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.