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Summary Geometry Related PDB entries

5PZ

Summary

Name:	(1~{R})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol
Formula:	C23 H21 Cl2 N3 O
Formal charge:	0
Formula weight:	426.338 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.4	(1~{R})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C23H21Cl2N3O/c1-15-6-2-3-7-17(15)13-27-20-8-4-5-9-21(20)28(23(27)26)14-22(29)16-10-11-18(24)19(25)12-16/h2-12,22,26,29H,13-14H2,1H3/b26-23-/t22-/m0/s1
InChIKey	InChI	1.03	BEKCHDAUQRKKOP-NFLAHJKKSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccccc1CN2C(=N)N(C[C@H](O)c3ccc(Cl)c(Cl)c3)c4ccccc24
SMILES	CACTVS	3.385	Cc1ccccc1CN2C(=N)N(C[CH](O)c3ccc(Cl)c(Cl)c3)c4ccccc24
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	[H]/N=C\1/N(c2ccccc2N1C[C@@H](c3ccc(c(c3)Cl)Cl)O)Cc4ccccc4C
SMILES	OpenEye OEToolkits	2.0.4	Cc1ccccc1CN2c3ccccc3N(C2=N)CC(c4ccc(c(c4)Cl)Cl)O

224931

PDB entries from 2024-09-11

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