English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

O00

Summary

Name:	(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one
Formula:	C19 H14 F2 N2 O2
Formal charge:	0
Formula weight:	340.323 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H14F2N2O2/c1-23-17(8-7-12-5-3-2-4-6-12)22-16(19(23)25)11-13-9-14(20)18(24)15(21)10-13/h2-11,24H,1H3/b8-7+,16-11-
InChIKey	InChI	1.06	QXBNXTPHNSRTRU-UQQCGOLSSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C(=O)/C(=C/c2cc(F)c(O)c(F)c2)N=C1\C=C\c3ccccc3
SMILES	CACTVS	3.385	CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=C/c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	CN1C(=NC(=Cc2cc(c(c(c2)F)O)F)C1=O)C=Cc3ccccc3

248942

PDB entries from 2026-02-11

PDB statistics

PDBj update info

Contact PDBj

numon