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

C13H10N4 — CID 161329492

IUPAC1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCNc1ccc(C#N)c2nc3ccccc3n12
InChIInChI=1S/C13H10N4/c1-15-12-7-6-9(8-14)13-16-10-4-2-3-5-11(10)17(12)13/h2-7,15H,1H3
InChIKeyAYVCQIDRCGYANI-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.40
Rot. Bonds1

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

1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 161329492) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID161329492
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCNc1ccc(C#N)c2nc3ccccc3n12
InChIInChI=1S/C13H10N4/c1-15-12-7-6-9(8-14)13-16-10-4-2-3-5-11(10)17(12)13/h2-7,15H,1H3
InChIKeyAYVCQIDRCGYANI-UHFFFAOYSA-N
XLogP2.40
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile
CID 134135496
2,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,9,11,14,16,18-nonaene-11-carbonitrile
CID 169224034
2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-dimethylazanium
CID 4086177
1-(2-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 950637
17-methyl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-15-carbonitrile
CID 121425929
1-(butylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3112193
2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 1269849
1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 15210133
4-(4-methylpiperazin-1-yl)-1,3,6,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carbonitrile
CID 118509916
3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4110105
2-[3-(dimethylamino)propylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile
CID 90667022
1-iodo-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 88919839

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 161329492) is 1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile is CNc1ccc(C#N)c2nc3ccccc3n12.
What is the InChIKey of 1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is AYVCQIDRCGYANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c1-15-12-7-6-9(8-14)13-16-10-4-2-3-5-11(10)17(12)13/h2-7,15H,1H3.
What are the key properties of 1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 161329492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).