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

C18H14N4O — CID 679754

IUPAC1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(NCc2ccco2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C18H14N4O/c1-12-9-17(20-11-13-5-4-8-23-13)22-16-7-3-2-6-15(16)21-18(22)14(12)10-19/h2-9,20H,11H2,1H3
InChIKeyUZZDOZFJXVHURU-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.87
Rot. Bonds3

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

1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 679754) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID679754
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(NCc2ccco2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C18H14N4O/c1-12-9-17(20-11-13-5-4-8-23-13)22-16-7-3-2-6-15(16)21-18(22)14(12)10-19/h2-9,20H,11H2,1H3
InChIKeyUZZDOZFJXVHURU-UHFFFAOYSA-N
XLogP3.87
TPSA66.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 679754) is 1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(NCc2ccco2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is UZZDOZFJXVHURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-12-9-17(20-11-13-5-4-8-23-13)22-16-7-3-2-6-15(16)21-18(22)14(12)10-19/h2-9,20H,11H2,1H3.
What are the key properties of 1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 302.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 679754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).