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Summary Geometry Related PDB entries

2HL

Summary

Name:	1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide
Formula:	C26 H25 N5 O2
Formal charge:	0
Formula weight:	439.509 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide
OpenEye OEToolkits	1.7.6	1-[[1-(phenylcarbonyl)piperidin-4-yl]methyl]-N-pyridin-3-yl-benzimidazole-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1ccccc1)N5CCC(Cn3c4ccc(C(=O)Nc2cccnc2)cc4nc3)CC5
InChI	InChI	1.03	InChI=1S/C26H25N5O2/c32-25(29-22-7-4-12-27-16-22)21-8-9-24-23(15-21)28-18-31(24)17-19-10-13-30(14-11-19)26(33)20-5-2-1-3-6-20/h1-9,12,15-16,18-19H,10-11,13-14,17H2,(H,29,32)
InChIKey	InChI	1.03	UROBXDPDOFZURE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(Nc1cccnc1)c2ccc3n(CC4CCN(CC4)C(=O)c5ccccc5)cnc3c2
SMILES	CACTVS	3.385	O=C(Nc1cccnc1)c2ccc3n(CC4CCN(CC4)C(=O)c5ccccc5)cnc3c2
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5

222415

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