1-[(2-methylphenyl)methyl]indole-3-carbonitrile

C17H14N2 — CID 82086172

IUPAC1-[(2-methylphenyl)methyl]indole-3-carbonitrile
SMILESCc1ccccc1Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C17H14N2/c1-13-6-2-3-7-14(13)11-19-12-15(10-18)16-8-4-5-9-17(16)19/h2-9,12H,11H2,1H3
InChIKeyRTUHOSUHKFIZNV-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.87
Rot. Bonds2

About 1-[(2-methylphenyl)methyl]indole-3-carbonitrile

1-[(2-methylphenyl)methyl]indole-3-carbonitrile (PubChem CID 82086172) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]indole-3-carbonitrile
PubChem CID82086172
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name1-[(2-methylphenyl)methyl]indole-3-carbonitrile
SMILESCc1ccccc1Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C17H14N2/c1-13-6-2-3-7-14(13)11-19-12-15(10-18)16-8-4-5-9-17(16)19/h2-9,12H,11H2,1H3
InChIKeyRTUHOSUHKFIZNV-UHFFFAOYSA-N
XLogP3.87
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-methylphenyl)methyl]indole-3-carbonitrile 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

1-[(2,5-dimethylphenyl)methyl]indole-3-carbonitrile
CID 82090203
1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82086176
2-[(3-butanoylindol-1-yl)methyl]benzonitrile
CID 3392442
(E)-2-(4-chlorophenyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 126370897
1-(4-chlorobutyl)indole-3-carbonitrile
CID 10331529
4-[1-[(2-methylphenyl)methyl]indol-3-yl]butanal
CID 154688020
4-[(3-formylindol-1-yl)methyl]-3-methylbenzonitrile
CID 114484983
2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole
CID 63926468
2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 951761
2-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzonitrile
CID 23456707
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-[(2-methylphenyl)methyl]indole
CID 4133471
(2S)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 124822546

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]indole-3-carbonitrile?
The IUPAC name of 1-[(2-methylphenyl)methyl]indole-3-carbonitrile (CID 82086172) is 1-[(2-methylphenyl)methyl]indole-3-carbonitrile.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]indole-3-carbonitrile?
The canonical SMILES for 1-[(2-methylphenyl)methyl]indole-3-carbonitrile is Cc1ccccc1Cn1cc(C#N)c2ccccc21.
What is the InChIKey of 1-[(2-methylphenyl)methyl]indole-3-carbonitrile?
The InChIKey is RTUHOSUHKFIZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-13-6-2-3-7-14(13)11-19-12-15(10-18)16-8-4-5-9-17(16)19/h2-9,12H,11H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]indole-3-carbonitrile?
1-[(2-methylphenyl)methyl]indole-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]indole-3-carbonitrile is sourced from PubChem (CID 82086172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).