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Summary Geometry Related PDB entries

A1CB1

Summary

Name:	2-{5-[(1S,10S)-1-phenyl-1,2,3,4-tetrahydropyrido[1,2-a][1,3]benzimidazol-8-yl]pyrimidin-2-yl}propan-2-ol
Formula:	C24 H24 N4 O
Formal charge:	0
Formula weight:	384.474 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	2-{5-[(1S,10S)-1-phenyl-1,2,3,4-tetrahydropyrido[1,2-a][1,3]benzimidazol-8-yl]pyrimidin-2-yl}propan-2-ol
OpenEye OEToolkits	3.1.0.0	2-[5-[(1~{R})-1-phenyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl]pyrimidin-2-yl]propan-2-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CC(C)(O)c1ncc(cn1)c1ccc2nc3CCCC(c4ccccc4)n3c2c1
InChI	InChI	1.06	InChI=1S/C24H24N4O/c1-24(2,29)23-25-14-18(15-26-23)17-11-12-19-21(13-17)28-20(9-6-10-22(28)27-19)16-7-4-3-5-8-16/h3-5,7-8,11-15,20,29H,6,9-10H2,1-2H3/t20-/m0/s1
InChIKey	InChI	1.06	HABFRLSNUHRSCC-FQEVSTJZSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)(O)c1ncc(cn1)c2ccc3nc4CCC[C@@H](n4c3c2)c5ccccc5
SMILES	CACTVS	3.385	CC(C)(O)c1ncc(cn1)c2ccc3nc4CCC[CH](n4c3c2)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CC(C)(c1ncc(cn1)c2ccc3c(c2)n4c(n3)CCC[C@@H]4c5ccccc5)O
SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)(c1ncc(cn1)c2ccc3c(c2)n4c(n3)CCCC4c5ccccc5)O

248636

PDB entries from 2026-02-04

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