2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

C26H20ClN5 — CID 19259264

IUPAC2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1c(Cc2ccccc2Cl)c(NCc2cccnc2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C26H20ClN5/c1-17-20(13-19-8-2-3-9-22(19)27)25(30-16-18-7-6-12-29-15-18)32-24-11-5-4-10-23(24)31-26(32)21(17)14-28/h2-12,15,30H,13,16H2,1H3
InChIKeyQRONOAJQMBGKNN-UHFFFAOYSA-N
MW437.93 g/mol
LogP5.92
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 19259264) has the molecular formula C26H20ClN5 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID19259264
Molecular FormulaC26H20ClN5
Molecular Weight437.93 g/mol
Exact Mass437.14
IUPAC Name2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1c(Cc2ccccc2Cl)c(NCc2cccnc2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C26H20ClN5/c1-17-20(13-19-8-2-3-9-22(19)27)25(30-16-18-7-6-12-29-15-18)32-24-11-5-4-10-23(24)31-26(32)21(17)14-28/h2-12,15,30H,13,16H2,1H3
InChIKeyQRONOAJQMBGKNN-UHFFFAOYSA-N
XLogP5.92
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(4-methylphenyl)methyl]-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3914624
2-[(2-chlorophenyl)methyl]-3-methyl-1-(undecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3710072
2-[(4-chlorophenyl)methyl]-3-methyl-1-(octadecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4991687
2-[(4-chlorophenyl)methyl]-1-[3-(diethylamino)propylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 5202621
2-butyl-3-methyl-1-(2-phenylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 5189737
2-benzyl-3-methyl-1-(quinolin-6-ylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3497666
2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium
CID 6956900
2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3114207
2-[(4-chlorophenyl)methyl]-3-methyl-1-(quinolin-6-ylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3798098
1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-2-[(2-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3723997
2-(2-chloroethyl)-1-[2-(dimethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3797062
1-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 6220082

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 19259264) is 2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1c(Cc2ccccc2Cl)c(NCc2cccnc2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is QRONOAJQMBGKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5/c1-17-20(13-19-8-2-3-9-22(19)27)25(30-16-18-7-6-12-29-15-18)32-24-11-5-4-10-23(24)31-26(32)21(17)14-28/h2-12,15,30H,13,16H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 437.93 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 19259264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).