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Summary Geometry Related PDB entries

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Summary

Name:	(2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one
Formula:	C21 H18 N4 O
Formal charge:	0
Formula weight:	342.394 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one
OpenEye OEToolkits	1.7.6	(5R)-2-azanylidene-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazolidin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3N(C(=[N@H])NC3(c2cc(c1cccnc1)ccc2)c4ccccc4)C
InChI	InChI	1.03	InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)/t21-/m1/s1
InChIKey	InChI	1.03	PNSQCPQDRVOKMA-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.370	CN1C(=N)N[C@](C1=O)(c2ccccc2)c3cccc(c3)c4cccnc4
SMILES	CACTVS	3.370	CN1C(=N)N[C](C1=O)(c2ccccc2)c3cccc(c3)c4cccnc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccnc4
SMILES	OpenEye OEToolkits	1.7.6	CN1C(=O)C(NC1=N)(c2ccccc2)c3cccc(c3)c4cccnc4

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