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Summary Geometry Related PDB entries

A1EBI

Summary

Name:	(5Z)-3-(3H-benzimidazol-4-ylmethyl)-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(E)-hydroxyiminomethyl]imidazol-4-one
Formula:	C19 H13 F2 N5 O3
Formal charge:	0
Formula weight:	397.335 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-[(~{E})-hydroxyiminomethyl]imidazol-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H13F2N5O3/c20-12-4-10(5-13(21)18(12)27)6-15-19(28)26(16(25-15)7-24-29)8-11-2-1-3-14-17(11)23-9-22-14/h1-7,9,27,29H,8H2,(H,22,23)/b15-6-,24-7+
InChIKey	InChI	1.06	MWUNZPXNBRYTBM-LSGIWYNDSA-N
SMILES_CANONICAL	CACTVS	3.385	O\N=C\C1=NC(=C/c2cc(F)c(O)c(F)c2)\C(=O)N1Cc3cccc4nc[nH]c34
SMILES	CACTVS	3.385	ON=CC1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1Cc3cccc4nc[nH]c34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c2c(c1)nc[nH]2)CN3C(=N/C(=C\c4cc(c(c(c4)F)O)F)/C3=O)/C=N/O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c2c(c1)nc[nH]2)CN3C(=NC(=Cc4cc(c(c(c4)F)O)F)C3=O)C=NO

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