2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile

C17H10N4 — CID 79004134

IUPAC2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccc4ccccc4n3)[nH]c2c1
InChIInChI=1S/C17H10N4/c18-10-11-5-7-14-16(9-11)21-17(20-14)15-8-6-12-3-1-2-4-13(12)19-15/h1-9H,(H,20,21)
InChIKeyYEYMXPUAIMMNRT-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.65
Rot. Bonds1

About 2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile

2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile (PubChem CID 79004134) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile
PubChem CID79004134
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccc4ccccc4n3)[nH]c2c1
InChIInChI=1S/C17H10N4/c18-10-11-5-7-14-16(9-11)21-17(20-14)15-8-6-12-3-1-2-4-13(12)19-15/h1-9H,(H,20,21)
InChIKeyYEYMXPUAIMMNRT-UHFFFAOYSA-N
XLogP3.65
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile (CID 79004134) is 2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3ccc4ccccc4n3)[nH]c2c1.
What is the InChIKey of 2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile?
The InChIKey is YEYMXPUAIMMNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c18-10-11-5-7-14-16(9-11)21-17(20-14)15-8-6-12-3-1-2-4-13(12)19-15/h1-9H,(H,20,21).
What are the key properties of 2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile?
2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile has a molecular weight of 270.30 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 79004134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).