4-(2-methyl-1H-indol-3-yl)benzonitrile

C16H12N2 — CID 39231480

IUPAC4-(2-methyl-1H-indol-3-yl)benzonitrile
SMILESCc1[nH]c2ccccc2c1-c1ccc(C#N)cc1
InChIInChI=1S/C16H12N2/c1-11-16(13-8-6-12(10-17)7-9-13)14-4-2-3-5-15(14)18-11/h2-9,18H,1H3
InChIKeyYUJTUOVWUPAIHR-UHFFFAOYSA-N
MW232.29 g/mol
LogP4.01
Rot. Bonds1

About 4-(2-methyl-1H-indol-3-yl)benzonitrile

4-(2-methyl-1H-indol-3-yl)benzonitrile (PubChem CID 39231480) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(2-methyl-1H-indol-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-methyl-1H-indol-3-yl)benzonitrile
PubChem CID39231480
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name4-(2-methyl-1H-indol-3-yl)benzonitrile
SMILESCc1[nH]c2ccccc2c1-c1ccc(C#N)cc1
InChIInChI=1S/C16H12N2/c1-11-16(13-8-6-12(10-17)7-9-13)14-4-2-3-5-15(14)18-11/h2-9,18H,1H3
InChIKeyYUJTUOVWUPAIHR-UHFFFAOYSA-N
XLogP4.01
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-methyl-1H-indol-3-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-phenyl-1H-indol-3-yl)benzonitrile
CID 12065987
4-(2-methyl-1H-indol-3-yl)phenol
CID 69113078
4-(2-methyl-1H-indole-3-carbonyl)benzonitrile
CID 10422724
4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile
CID 116894910
2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile
CID 82481204
6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole
CID 72736641
2-methyl-3-(1-methylpyrrol-3-yl)-1H-indole
CID 175789858
4-[1-(4-cyanophenyl)-3-methylnaphthalen-2-yl]benzonitrile
CID 122383144
9H-carbazole-3-carbonitrile
CID 21107343
[2-(4-cyanophenyl)-1H-indol-3-yl] methyl carbonate
CID 70135708
3-(3-methyl-1-oxo-2H-isoquinolin-4-yl)benzonitrile
CID 11694572
9H-carbazole-3-carbonitrile;hydrochloride
CID 153357556

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-indol-3-yl)benzonitrile?
The IUPAC name of 4-(2-methyl-1H-indol-3-yl)benzonitrile (CID 39231480) is 4-(2-methyl-1H-indol-3-yl)benzonitrile.
What is the SMILES notation for 4-(2-methyl-1H-indol-3-yl)benzonitrile?
The canonical SMILES for 4-(2-methyl-1H-indol-3-yl)benzonitrile is Cc1[nH]c2ccccc2c1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(2-methyl-1H-indol-3-yl)benzonitrile?
The InChIKey is YUJTUOVWUPAIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-11-16(13-8-6-12(10-17)7-9-13)14-4-2-3-5-15(14)18-11/h2-9,18H,1H3.
What are the key properties of 4-(2-methyl-1H-indol-3-yl)benzonitrile?
4-(2-methyl-1H-indol-3-yl)benzonitrile has a molecular weight of 232.29 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-indol-3-yl)benzonitrile is sourced from PubChem (CID 39231480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).