1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile

C16H16N4O — CID 56695901

IUPAC1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1ccc2c(c1)nc1c(C#N)c(C)cc(NCCO)n12
InChIInChI=1S/C16H16N4O/c1-10-3-4-14-13(7-10)19-16-12(9-17)11(2)8-15(20(14)16)18-5-6-21/h3-4,7-8,18,21H,5-6H2,1-2H3
InChIKeyVSJAZOPZHBFQNM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.38
Rot. Bonds3

About 1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 56695901) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID56695901
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1ccc2c(c1)nc1c(C#N)c(C)cc(NCCO)n12
InChIInChI=1S/C16H16N4O/c1-10-3-4-14-13(7-10)19-16-12(9-17)11(2)8-15(20(14)16)18-5-6-21/h3-4,7-8,18,21H,5-6H2,1-2H3
InChIKeyVSJAZOPZHBFQNM-UHFFFAOYSA-N
XLogP2.38
TPSA73.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-hydroxyethylamino)-3,7-dimethylpyrido[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

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 56695901) is 1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1ccc2c(c1)nc1c(C#N)c(C)cc(NCCO)n12.
What is the InChIKey of 1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is VSJAZOPZHBFQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-3-4-14-13(7-10)19-16-12(9-17)11(2)8-15(20(14)16)18-5-6-21/h3-4,7-8,18,21H,5-6H2,1-2H3.
What are the key properties of 1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 56695901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).