2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C20H18N4O — CID 556949

IUPAC2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccco1
InChIInChI=1S/C20H18N4O/c1-3-15-13(2)16(11-21)20-23-17-8-4-5-9-18(17)24(20)19(15)22-12-14-7-6-10-25-14/h4-10,22H,3,12H2,1-2H3
InChIKeyNNDZQTROGIOFNM-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.44
Rot. Bonds4

About 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 556949) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID556949
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccco1
InChIInChI=1S/C20H18N4O/c1-3-15-13(2)16(11-21)20-23-17-8-4-5-9-18(17)24(20)19(15)22-12-14-7-6-10-25-14/h4-10,22H,3,12H2,1-2H3
InChIKeyNNDZQTROGIOFNM-UHFFFAOYSA-N
XLogP4.44
TPSA66.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-1-(furan-2-ylmethylamino)-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 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 556949) is 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccco1.
What is the InChIKey of 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is NNDZQTROGIOFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-3-15-13(2)16(11-21)20-23-17-8-4-5-9-18(17)24(20)19(15)22-12-14-7-6-10-25-14/h4-10,22H,3,12H2,1-2H3.
What are the key properties of 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 330.39 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 556949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).