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Summary Geometry Related PDB entries

4QV

Summary

Name:	5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one
Formula:	C14 H10 N4 O2
Formal charge:	0
Formula weight:	266.255 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one
OpenEye OEToolkits	1.9.2	3-(1H-benzimidazol-2-yl)-6-oxidanyl-1H-benzimidazol-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N(c2c(N1)cc(cc2)O)c4nc3ccccc3n4
InChI	InChI	1.03	InChI=1S/C14H10N4O2/c19-8-5-6-12-11(7-8)17-14(20)18(12)13-15-9-3-1-2-4-10(9)16-13/h1-7,19H,(H,15,16)(H,17,20)
InChIKey	InChI	1.03	YOEAQWYCBDUGQE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc2N(C(=O)Nc2c1)c3[nH]c4ccccc4n3
SMILES	CACTVS	3.385	Oc1ccc2N(C(=O)Nc2c1)c3[nH]c4ccccc4n3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O

221371

PDB entries from 2024-06-19

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