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

C21H24N4 — CID 855046

IUPAC1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCCc1cc(NC2CCCCC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C21H24N4/c1-2-8-15-13-20(23-16-9-4-3-5-10-16)25-19-12-7-6-11-18(19)24-21(25)17(15)14-22/h6-7,11-13,16,23H,2-5,8-10H2,1H3
InChIKeyARJUMZQSTGKBLU-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.06
Rot. Bonds4

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

1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 855046) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID855046
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCCc1cc(NC2CCCCC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C21H24N4/c1-2-8-15-13-20(23-16-9-4-3-5-10-16)25-19-12-7-6-11-18(19)24-21(25)17(15)14-22/h6-7,11-13,16,23H,2-5,8-10H2,1H3
InChIKeyARJUMZQSTGKBLU-UHFFFAOYSA-N
XLogP5.06
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 935605
1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 830181
1-(4-bromoanilino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3298534
2-butyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3532308
1-(3,4-dichloroanilino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 19259176
1-(4-butylanilino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3738495
1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3780174
1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3157185
3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 24592266
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 988431
2-benzyl-1-(cyclohexylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3114207
2-(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetate
CID 6984555

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 855046) is 1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile is CCCc1cc(NC2CCCCC2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is ARJUMZQSTGKBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-8-15-13-20(23-16-9-4-3-5-10-16)25-19-12-7-6-11-18(19)24-21(25)17(15)14-22/h6-7,11-13,16,23H,2-5,8-10H2,1H3.
What are the key properties of 1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 332.45 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 855046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).