2-(benzimidazol-1-yl)quinoline-4-carbonitrile

C17H10N4 — CID 63884112

IUPAC2-(benzimidazol-1-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(-n2cnc3ccccc32)nc2ccccc12
InChIInChI=1S/C17H10N4/c18-10-12-9-17(20-14-6-2-1-5-13(12)14)21-11-19-15-7-3-4-8-16(15)21/h1-9,11H
InChIKeyMZFXTRVQOFDYEZ-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.45
Rot. Bonds1

About 2-(benzimidazol-1-yl)quinoline-4-carbonitrile

2-(benzimidazol-1-yl)quinoline-4-carbonitrile (PubChem CID 63884112) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)quinoline-4-carbonitrile
PubChem CID63884112
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name2-(benzimidazol-1-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(-n2cnc3ccccc32)nc2ccccc12
InChIInChI=1S/C17H10N4/c18-10-12-9-17(20-14-6-2-1-5-13(12)14)21-11-19-15-7-3-4-8-16(15)21/h1-9,11H
InChIKeyMZFXTRVQOFDYEZ-UHFFFAOYSA-N
XLogP3.45
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-4-chlorobenzonitrile
CID 55180235
2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile
CID 63885085
2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
CID 63884859
3,4-bis(benzimidazol-1-yl)benzonitrile
CID 122546288
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile
CID 66371449
2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carbonitrile
CID 63883709
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
1-phenylbenzimidazole-5,6-dicarbonitrile
CID 16762723
1-(2-tert-butyl-6-chloropyrimidin-4-yl)benzimidazole
CID 80951246
2-(bromomethyl)quinoline-4-carbonitrile
CID 45123456
4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine
CID 114053321
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile
CID 146074701

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)quinoline-4-carbonitrile?
The IUPAC name of 2-(benzimidazol-1-yl)quinoline-4-carbonitrile (CID 63884112) is 2-(benzimidazol-1-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(benzimidazol-1-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(benzimidazol-1-yl)quinoline-4-carbonitrile is N#Cc1cc(-n2cnc3ccccc32)nc2ccccc12.
What is the InChIKey of 2-(benzimidazol-1-yl)quinoline-4-carbonitrile?
The InChIKey is MZFXTRVQOFDYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c18-10-12-9-17(20-14-6-2-1-5-13(12)14)21-11-19-15-7-3-4-8-16(15)21/h1-9,11H.
What are the key properties of 2-(benzimidazol-1-yl)quinoline-4-carbonitrile?
2-(benzimidazol-1-yl)quinoline-4-carbonitrile has a molecular weight of 270.30 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 63884112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).