3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

C15H14N4 — CID 4110105

IUPAC3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCNc1cc(C)c(C#N)c2nc3cc(C)ccc3n12
InChIInChI=1S/C15H14N4/c1-9-4-5-13-12(6-9)18-15-11(8-16)10(2)7-14(17-3)19(13)15/h4-7,17H,1-3H3
InChIKeyKKKIXBXMTIJGLJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.02
Rot. Bonds1

About 3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 4110105) has the molecular formula C15H14N4 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID4110105
Molecular FormulaC15H14N4
Molecular Weight250.30 g/mol
Exact Mass250.12
IUPAC Name3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCNc1cc(C)c(C#N)c2nc3cc(C)ccc3n12
InChIInChI=1S/C15H14N4/c1-9-4-5-13-12(6-9)18-15-11(8-16)10(2)7-14(17-3)19(13)15/h4-7,17H,1-3H3
InChIKeyKKKIXBXMTIJGLJ-UHFFFAOYSA-N
XLogP3.02
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 4110105) is 3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile is CNc1cc(C)c(C#N)c2nc3cc(C)ccc3n12.
What is the InChIKey of 3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is KKKIXBXMTIJGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-9-4-5-13-12(6-9)18-15-11(8-16)10(2)7-14(17-3)19(13)15/h4-7,17H,1-3H3.
What are the key properties of 3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 250.30 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 4110105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).