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Summary Geometry Related PDB entries

A6Y

Summary

Name:	(S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol
Formula:	C22 H21 N3 O
Formal charge:	0
Formula weight:	343.422 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol
OpenEye OEToolkits	2.0.6	(~{S})-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-pyridin-4-yl-methanol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cccc3c1n(Cc2c(ccc(c2)C)C)c(n3)C(O)c4ccncc4
InChI	InChI	1.03	InChI=1S/C22H21N3O/c1-15-7-8-16(2)18(13-15)14-25-20-6-4-3-5-19(20)24-22(25)21(26)17-9-11-23-12-10-17/h3-13,21,26H,14H2,1-2H3/t21-/m0/s1
InChIKey	InChI	1.03	MKABLXAUPLCAHG-NRFANRHFSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(C)c(Cn2c3ccccc3nc2[C@@H](O)c4ccncc4)c1
SMILES	CACTVS	3.385	Cc1ccc(C)c(Cn2c3ccccc3nc2[CH](O)c4ccncc4)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)Cn2c3ccccc3nc2[C@H](c4ccncc4)O)C
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)Cn2c3ccccc3nc2C(c4ccncc4)O)C

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