2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C26H26N4 — CID 3114207

IUPAC2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1c(Cc2ccccc2)c(NC2CCCCC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C26H26N4/c1-18-21(16-19-10-4-2-5-11-19)25(28-20-12-6-3-7-13-20)30-24-15-9-8-14-23(24)29-26(30)22(18)17-27/h2,4-5,8-11,14-15,20,28H,3,6-7,12-13,16H2,1H3
InChIKeyBQUCLEHXSLTZKB-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.00
Rot. Bonds4

About 2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 3114207) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID3114207
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC Name2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1c(Cc2ccccc2)c(NC2CCCCC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C26H26N4/c1-18-21(16-19-10-4-2-5-11-19)25(28-20-12-6-3-7-13-20)30-24-15-9-8-14-23(24)29-26(30)22(18)17-27/h2,4-5,8-11,14-15,20,28H,3,6-7,12-13,16H2,1H3
InChIKeyBQUCLEHXSLTZKB-UHFFFAOYSA-N
XLogP6.00
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3532308
2-benzyl-1-[2-(dimethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 989046
2-benzyl-1-(4-fluoropiperidin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile;hydrochloride
CID 162318362
2-benzyl-3-methyl-1-(quinolin-6-ylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3497666
2-benzyl-3-methyl-1-[4-(2-phenylethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 19259144
2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 988428
2-benzyl-1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3575490
2-[(4-chlorophenyl)methyl]-3-methyl-1-(octadecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4991687
3-methyl-2-[(4-methylphenyl)methyl]-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3914624
2-benzyl-3-methyl-1-(3-nitroanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3507775
1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 935605
1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 855046

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 3114207) is 2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1c(Cc2ccccc2)c(NC2CCCCC2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is BQUCLEHXSLTZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c1-18-21(16-19-10-4-2-5-11-19)25(28-20-12-6-3-7-13-20)30-24-15-9-8-14-23(24)29-26(30)22(18)17-27/h2,4-5,8-11,14-15,20,28H,3,6-7,12-13,16H2,1H3.
What are the key properties of 2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 394.52 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 3114207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).