2-[(6-methylindol-1-yl)methyl]benzonitrile

C17H14N2 — CID 116546876

IUPAC2-[(6-methylindol-1-yl)methyl]benzonitrile
SMILESCc1ccc2ccn(Cc3ccccc3C#N)c2c1
InChIInChI=1S/C17H14N2/c1-13-6-7-14-8-9-19(17(14)10-13)12-16-5-3-2-4-15(16)11-18/h2-10H,12H2,1H3
InChIKeyHWDGYBKKMOKPRE-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.87
Rot. Bonds2

About 2-[(6-methylindol-1-yl)methyl]benzonitrile

2-[(6-methylindol-1-yl)methyl]benzonitrile (PubChem CID 116546876) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(6-methylindol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(6-methylindol-1-yl)methyl]benzonitrile
PubChem CID116546876
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-[(6-methylindol-1-yl)methyl]benzonitrile
SMILESCc1ccc2ccn(Cc3ccccc3C#N)c2c1
InChIInChI=1S/C17H14N2/c1-13-6-7-14-8-9-19(17(14)10-13)12-16-5-3-2-4-15(16)11-18/h2-10H,12H2,1H3
InChIKeyHWDGYBKKMOKPRE-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

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Related Compounds

2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile
CID 102916437
3-[(6-methylindol-1-yl)methyl]benzonitrile
CID 116546598
1-[(2-cyanophenyl)methyl]indole-5-carboxylic acid
CID 63748946
2-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
CID 82344597
5-methyl-1-(naphthalen-1-ylmethyl)indole
CID 110831307
6-bromo-1-[(2,5-dimethylphenyl)methyl]indole
CID 116621819
2-[(6-cyanoindol-1-yl)methyl]benzamide
CID 107917663
1-[(5-fluoro-2-nitrophenyl)methyl]-6-methylindole
CID 116546647
2-[4-[(6-methylindol-1-yl)methyl]phenyl]acetic acid
CID 105345354
6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106869999
2-[[3-[(2-cyanophenyl)methyl]-4,5-dimethyl-2-oxoimidazol-1-yl]methyl]benzonitrile
CID 67586386
1-(2-bromoethyl)-6-methylindole
CID 130577129

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylindol-1-yl)methyl]benzonitrile?
The IUPAC name of 2-[(6-methylindol-1-yl)methyl]benzonitrile (CID 116546876) is 2-[(6-methylindol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(6-methylindol-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(6-methylindol-1-yl)methyl]benzonitrile is Cc1ccc2ccn(Cc3ccccc3C#N)c2c1.
What is the InChIKey of 2-[(6-methylindol-1-yl)methyl]benzonitrile?
The InChIKey is HWDGYBKKMOKPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-13-6-7-14-8-9-19(17(14)10-13)12-16-5-3-2-4-15(16)11-18/h2-10H,12H2,1H3.
What are the key properties of 2-[(6-methylindol-1-yl)methyl]benzonitrile?
2-[(6-methylindol-1-yl)methyl]benzonitrile 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 2-[(6-methylindol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 116546876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).