1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C19H12N6 — CID 19259127

IUPAC1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(-n2nnc3ccccc32)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C19H12N6/c1-12-10-18(25-17-9-5-3-7-15(17)22-23-25)24-16-8-4-2-6-14(16)21-19(24)13(12)11-20/h2-10H,1H3
InChIKeyFQKFAHGTNPDFAK-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.40
Rot. Bonds1

About 1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 19259127) has the molecular formula C19H12N6 and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID19259127
Molecular FormulaC19H12N6
Molecular Weight324.35 g/mol
Exact Mass324.11
IUPAC Name1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(-n2nnc3ccccc32)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C19H12N6/c1-12-10-18(25-17-9-5-3-7-15(17)22-23-25)24-16-8-4-2-6-14(16)21-19(24)13(12)11-20/h2-10H,1H3
InChIKeyFQKFAHGTNPDFAK-UHFFFAOYSA-N
XLogP3.40
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-iodo-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 88919839
3-methyl-1-piperazin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726802
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726811
3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 986224
1-(1-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 142668218
1-(2-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 950637
3-methyl-1-(3-oxopiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 24592248
1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3274860
3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 24592252
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide
CID 24632833
1-[bis(2-hydroxyethyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4157319
1-benzylsulfanyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3824744

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 19259127) is 1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(-n2nnc3ccccc32)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is FQKFAHGTNPDFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6/c1-12-10-18(25-17-9-5-3-7-15(17)22-23-25)24-16-8-4-2-6-14(16)21-19(24)13(12)11-20/h2-10H,1H3.
What are the key properties of 1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 324.35 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 19259127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).