1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C16H11N5 — CID 726769

IUPAC1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(-n2ccnc2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C16H11N5/c1-11-8-15(20-7-6-18-10-20)21-14-5-3-2-4-13(14)19-16(21)12(11)9-17/h2-8,10H,1H3
InChIKeyGUEJHFQPWUESTQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.85
Rot. Bonds1

About 1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 726769) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID726769
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(-n2ccnc2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C16H11N5/c1-11-8-15(20-7-6-18-10-20)21-14-5-3-2-4-13(14)19-16(21)12(11)9-17/h2-8,10H,1H3
InChIKeyGUEJHFQPWUESTQ-UHFFFAOYSA-N
XLogP2.85
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 1
CID 49971
1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 355876
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
FK-739 free acid
CID 9801627
Fazadinium Bromide
CID 6321422
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
13-Amino-11-(4-methylphenyl)-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10,12-dicarbonitrile
CID 699043
3-(Diphenylphosphinothioyl)-2-methyl-1-[(2E)-3-phenyl-2-propen-1-yl]imidazo[1,2-a]pyridiniumbromide
CID 46930969
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 726769) is 1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(-n2ccnc2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is GUEJHFQPWUESTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c1-11-8-15(20-7-6-18-10-20)21-14-5-3-2-4-13(14)19-16(21)12(11)9-17/h2-8,10H,1H3.
What are the key properties of 1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 273.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 726769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).