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Summary Geometry Related PDB entries

HI8

Summary

Name:	(6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one
Formula:	C23 H26 N4 O2
Formal charge:	0
Formula weight:	390.478 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one
OpenEye OEToolkits	2.0.7	3-[(2~{R})-3,3-dimethylbutan-2-yl]-5-[(5~{S})-5-methyl-4-oxidanylidene-5-phenyl-1~{H}-imidazol-2-yl]-1~{H}-benzimidazol-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N=C(NC1(C)c1ccccc1)c1ccc2NC(=O)N(c2c1)C(C)C(C)(C)C
InChI	InChI	1.06	InChI=1S/C23H26N4O2/c1-14(22(2,3)4)27-18-13-15(11-12-17(18)24-21(27)29)19-25-20(28)23(5,26-19)16-9-7-6-8-10-16/h6-14H,1-5H3,(H,24,29)(H,25,26,28)/t14-,23+/m1/s1
InChIKey	InChI	1.06	AYFDMSNHRFJPTL-FATZIPQQSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](N1C(=O)Nc2ccc(cc12)C3=NC(=O)[C@@](C)(N3)c4ccccc4)C(C)(C)C
SMILES	CACTVS	3.385	C[CH](N1C(=O)Nc2ccc(cc12)C3=NC(=O)[C](C)(N3)c4ccccc4)C(C)(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H](C(C)(C)C)N1c2cc(ccc2NC1=O)C3=NC(=O)[C@](N3)(C)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CC(C(C)(C)C)N1c2cc(ccc2NC1=O)C3=NC(=O)C(N3)(C)c4ccccc4

248335

PDB entries from 2026-01-28

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