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Summary Geometry Related PDB entries

6T6

Summary

Name:	(2R)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-imidazol-4-amine
Formula:	C21 H20 N4
Formal charge:	0
Formula weight:	328.41 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2-methyl-5-phenyl-2-[3-(pyridin-3-yl)phenyl]-2,3-dihydro-1H-imidazol-4-amine
OpenEye OEToolkits	1.9.2	(2R)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-1,3-dihydroimidazol-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4cccc(c1cc(ccc1)C2(NC(=C(N)N2)c3ccccc3)C)c4
InChI	InChI	1.03	InChI=1S/C21H20N4/c1-21(24-19(20(22)25-21)15-7-3-2-4-8-15)18-11-5-9-16(13-18)17-10-6-12-23-14-17/h2-14,24-25H,22H2,1H3/t21-/m1/s1
InChIKey	InChI	1.03	BLSGQDNQCUBPGO-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@]1(NC(=C(N1)c2ccccc2)N)c3cccc(c3)c4cccnc4
SMILES	CACTVS	3.385	C[C]1(NC(=C(N1)c2ccccc2)N)c3cccc(c3)c4cccnc4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	C[C@]1(NC(=C(N1)N)c2ccccc2)c3cccc(c3)c4cccnc4
SMILES	OpenEye OEToolkits	1.9.2	CC1(NC(=C(N1)N)c2ccccc2)c3cccc(c3)c4cccnc4

248335

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