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Summary Geometry Related PDB entries

JG9

Summary

Name:	(4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine
Formula:	C22 H24 N4
Formal charge:	0
Formula weight:	344.453 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine
OpenEye OEToolkits	2.0.7	2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cn1cc(nc1CCc1ccc2nc(C)c(C)n2c1C)c1ccccc1
InChI	InChI	1.03	InChI=1S/C22H24N4/c1-15-16(2)26-17(3)18(11-13-22(26)23-15)10-12-21-24-20(14-25(21)4)19-8-6-5-7-9-19/h5-9,11,13-14H,10,12H2,1-4H3
InChIKey	InChI	1.03	RVLJIWHZBHOJLA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(nc1CCc2ccc3nc(C)c(C)n3c2C)c4ccccc4
SMILES	CACTVS	3.385	Cn1cc(nc1CCc2ccc3nc(C)c(C)n3c2C)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(n2c(c(ccc2n1)CCc3nc(cn3C)c4ccccc4)C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(n2c(c(ccc2n1)CCc3nc(cn3C)c4ccccc4)C)C

222415

PDB entries from 2024-07-10

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