4-(2,6-dimethylindol-1-yl)benzonitrile

C17H14N2 — CID 118086140

IUPAC4-(2,6-dimethylindol-1-yl)benzonitrile
SMILESCc1ccc2cc(C)n(-c3ccc(C#N)cc3)c2c1
InChIInChI=1S/C17H14N2/c1-12-3-6-15-10-13(2)19(17(15)9-12)16-7-4-14(11-18)5-8-16/h3-10H,1-2H3
InChIKeyRIEHVCBUXYSCQL-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.12
Rot. Bonds1

About 4-(2,6-dimethylindol-1-yl)benzonitrile

4-(2,6-dimethylindol-1-yl)benzonitrile (PubChem CID 118086140) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2,6-dimethylindol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(2,6-dimethylindol-1-yl)benzonitrile
PubChem CID118086140
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name4-(2,6-dimethylindol-1-yl)benzonitrile
SMILESCc1ccc2cc(C)n(-c3ccc(C#N)cc3)c2c1
InChIInChI=1S/C17H14N2/c1-12-3-6-15-10-13(2)19(17(15)9-12)16-7-4-14(11-18)5-8-16/h3-10H,1-2H3
InChIKeyRIEHVCBUXYSCQL-UHFFFAOYSA-N
XLogP4.12
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,6-dimethylindol-1-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

ethane;4-(2,3,5-trimethylpyrrol-1-yl)benzonitrile
CID 153386821
4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile
CID 118078530
4-[4-(4-chlorophenyl)-5-(4-cyanophenyl)-1-(4-methylphenyl)pyrrolo[3,2-b]pyrrol-2-yl]benzonitrile
CID 134566035
1-(4-cyanophenyl)-2,5-dimethyl-N-methylsulfonylpyrrole-3-carboxamide
CID 146154363
4-[3-(3,3-dimethylbutanoyl)-2,5-dimethylpyrrol-1-yl]benzonitrile
CID 156523104
6-methyl-9-phenylcarbazole-2-carbonitrile
CID 129176191
4-[3-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2,5-dimethylpyrrol-1-yl]benzonitrile
CID 3901270
1-cyclopropyl-2-methylindole-6-carbonitrile
CID 115020693
2-methyl-1-(4-methylphenyl)indol-5-ol
CID 165356457
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile
CID 83418617
2-(1-chloroethyl)-3-(4-methylphenyl)benzimidazole-5-carbonitrile
CID 104715383

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylindol-1-yl)benzonitrile?
The IUPAC name of 4-(2,6-dimethylindol-1-yl)benzonitrile (CID 118086140) is 4-(2,6-dimethylindol-1-yl)benzonitrile.
What is the SMILES notation for 4-(2,6-dimethylindol-1-yl)benzonitrile?
The canonical SMILES for 4-(2,6-dimethylindol-1-yl)benzonitrile is Cc1ccc2cc(C)n(-c3ccc(C#N)cc3)c2c1.
What is the InChIKey of 4-(2,6-dimethylindol-1-yl)benzonitrile?
The InChIKey is RIEHVCBUXYSCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-12-3-6-15-10-13(2)19(17(15)9-12)16-7-4-14(11-18)5-8-16/h3-10H,1-2H3.
What are the key properties of 4-(2,6-dimethylindol-1-yl)benzonitrile?
4-(2,6-dimethylindol-1-yl)benzonitrile has a molecular weight of 246.31 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylindol-1-yl)benzonitrile is sourced from PubChem (CID 118086140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).