2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile

C24H19N5 — CID 988428

IUPAC2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1c(Cc2ccccc2)c(-n2ccnc2C)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C24H19N5/c1-16-19(14-18-8-4-3-5-9-18)24(28-13-12-26-17(28)2)29-22-11-7-6-10-21(22)27-23(29)20(16)15-25/h3-13H,14H2,1-2H3
InChIKeyYYOGNHZNXJCERI-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.75
Rot. Bonds3

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

2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 988428) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID988428
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC Name2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1c(Cc2ccccc2)c(-n2ccnc2C)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C24H19N5/c1-16-19(14-18-8-4-3-5-9-18)24(28-13-12-26-17(28)2)29-22-11-7-6-10-21(22)27-23(29)20(16)15-25/h3-13H,14H2,1-2H3
InChIKeyYYOGNHZNXJCERI-UHFFFAOYSA-N
XLogP4.75
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 988428) is 2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1c(Cc2ccccc2)c(-n2ccnc2C)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is YYOGNHZNXJCERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c1-16-19(14-18-8-4-3-5-9-18)24(28-13-12-26-17(28)2)29-22-11-7-6-10-21(22)27-23(29)20(16)15-25/h3-13H,14H2,1-2H3.
What are the key properties of 2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 377.45 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 988428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).