1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C22H20N4O2 — CID 60506344

IUPAC1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCOc1cccc(CNc2cc(C)c(C#N)c3nc4ccccc4n23)c1OC
InChIInChI=1S/C22H20N4O2/c1-14-11-20(24-13-15-7-6-10-19(27-2)21(15)28-3)26-18-9-5-4-8-17(18)25-22(26)16(14)12-23/h4-11,24H,13H2,1-3H3
InChIKeyUEJOPGAUYLSSSG-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.30
Rot. Bonds5

About 1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 60506344) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID60506344
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCOc1cccc(CNc2cc(C)c(C#N)c3nc4ccccc4n23)c1OC
InChIInChI=1S/C22H20N4O2/c1-14-11-20(24-13-15-7-6-10-19(27-2)21(15)28-3)26-18-9-5-4-8-17(18)25-22(26)16(14)12-23/h4-11,24H,13H2,1-3H3
InChIKeyUEJOPGAUYLSSSG-UHFFFAOYSA-N
XLogP4.30
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2,3-dimethoxyphenyl)methylamino]-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

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 60506344) is 1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is COc1cccc(CNc2cc(C)c(C#N)c3nc4ccccc4n23)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is UEJOPGAUYLSSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-11-20(24-13-15-7-6-10-19(27-2)21(15)28-3)26-18-9-5-4-8-17(18)25-22(26)16(14)12-23/h4-11,24H,13H2,1-3H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 60506344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).