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Summary Geometry Related PDB entries

A1EST

Summary

Name:	(5Z)-3-(3H-benzimidazol-4-ylmethyl)-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-methyl-imidazol-4-one
Formula:	C19 H14 F2 N4 O2
Formal charge:	0
Formula weight:	368.337 Da
Component type:	non-polymer

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H14F2N4O2/c1-10-24-16(7-11-5-13(20)18(26)14(21)6-11)19(27)25(10)8-12-3-2-4-15-17(12)23-9-22-15/h2-7,9,26H,8H2,1H3,(H,22,23)/b16-7-
InChIKey	InChI	1.06	UDYSIBWBQGPNCS-APSNUPSMSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1=NC(=C/c2cc(F)c(O)c(F)c2)\C(=O)N1Cc3cccc4nc[nH]c34
SMILES	CACTVS	3.385	CC1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1Cc3cccc4nc[nH]c34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1Cc3cccc4c3[nH]cn4
SMILES	OpenEye OEToolkits	2.0.7	CC1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1Cc3cccc4c3[nH]cn4

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