3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

C14H12N4 — CID 767452

IUPAC3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCNc1cc(C)c(C#N)c2nc3ccccc3n12
InChIInChI=1S/C14H12N4/c1-9-7-13(16-2)18-12-6-4-3-5-11(12)17-14(18)10(9)8-15/h3-7,16H,1-2H3
InChIKeyJDTHCWACCHIXOP-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.71
Rot. Bonds1

About 3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 767452) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID767452
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCNc1cc(C)c(C#N)c2nc3ccccc3n12
InChIInChI=1S/C14H12N4/c1-9-7-13(16-2)18-12-6-4-3-5-11(12)17-14(18)10(9)8-15/h3-7,16H,1-2H3
InChIKeyJDTHCWACCHIXOP-UHFFFAOYSA-N
XLogP2.71
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 767452) is 3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile is CNc1cc(C)c(C#N)c2nc3ccccc3n12.
What is the InChIKey of 3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is JDTHCWACCHIXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-9-7-13(16-2)18-12-6-4-3-5-11(12)17-14(18)10(9)8-15/h3-7,16H,1-2H3.
What are the key properties of 3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 767452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).