1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

C14H9N5 — CID 15210133

IUPAC1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
SMILESCc1c(C#N)c(N)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C14H9N5/c1-8-9(6-15)13(17)19-12-5-3-2-4-11(12)18-14(19)10(8)7-16/h2-5H,17H2,1H3
InChIKeyXDXOTFNGHDRDNI-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.12
Rot. Bonds

About 1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile (PubChem CID 15210133) has the molecular formula C14H9N5 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile.

Molecular Properties

Compound Name1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
PubChem CID15210133
Molecular FormulaC14H9N5
Molecular Weight247.26 g/mol
Exact Mass247.09
IUPAC Name1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
SMILESCc1c(C#N)c(N)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C14H9N5/c1-8-9(6-15)13(17)19-12-5-3-2-4-11(12)18-14(19)10(8)7-16/h2-5H,17H2,1H3
InChIKeyXDXOTFNGHDRDNI-UHFFFAOYSA-N
XLogP2.12
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
The IUPAC name of 1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile (CID 15210133) is 1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile.
What is the SMILES notation for 1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
The canonical SMILES for 1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile is Cc1c(C#N)c(N)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
The InChIKey is XDXOTFNGHDRDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5/c1-8-9(6-15)13(17)19-12-5-3-2-4-11(12)18-14(19)10(8)7-16/h2-5H,17H2,1H3.
What are the key properties of 1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile has a molecular weight of 247.26 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile is sourced from PubChem (CID 15210133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).