4-(2-methyl-1H-indole-3-carbonyl)benzonitrile

C17H12N2O — CID 10422724

IUPAC4-(2-methyl-1H-indole-3-carbonyl)benzonitrile
SMILESCc1[nH]c2ccccc2c1C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H12N2O/c1-11-16(14-4-2-3-5-15(14)19-11)17(20)13-8-6-12(10-18)7-9-13/h2-9,19H,1H3
InChIKeyOTVUMHNQILQSTJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.58
Rot. Bonds2

About 4-(2-methyl-1H-indole-3-carbonyl)benzonitrile

4-(2-methyl-1H-indole-3-carbonyl)benzonitrile (PubChem CID 10422724) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(2-methyl-1H-indole-3-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(2-methyl-1H-indole-3-carbonyl)benzonitrile
PubChem CID10422724
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name4-(2-methyl-1H-indole-3-carbonyl)benzonitrile
SMILESCc1[nH]c2ccccc2c1C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H12N2O/c1-11-16(14-4-2-3-5-15(14)19-11)17(20)13-8-6-12(10-18)7-9-13/h2-9,19H,1H3
InChIKeyOTVUMHNQILQSTJ-UHFFFAOYSA-N
XLogP3.58
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-cyanobenzoate
CID 16522679
(4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 175114331
(2-methyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339223
4-(2-methyl-1H-indol-3-yl)benzonitrile
CID 39231480
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
CID 170645728
CID 170645728
(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 114021021
anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone
CID 10065533
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
3-(4-cyanophenyl)sulfanyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 139572336
(E)-4-(2-methyl-1H-indol-3-yl)pent-3-en-2-one
CID 66575320

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-indole-3-carbonyl)benzonitrile?
The IUPAC name of 4-(2-methyl-1H-indole-3-carbonyl)benzonitrile (CID 10422724) is 4-(2-methyl-1H-indole-3-carbonyl)benzonitrile.
What is the SMILES notation for 4-(2-methyl-1H-indole-3-carbonyl)benzonitrile?
The canonical SMILES for 4-(2-methyl-1H-indole-3-carbonyl)benzonitrile is Cc1[nH]c2ccccc2c1C(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-(2-methyl-1H-indole-3-carbonyl)benzonitrile?
The InChIKey is OTVUMHNQILQSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-11-16(14-4-2-3-5-15(14)19-11)17(20)13-8-6-12(10-18)7-9-13/h2-9,19H,1H3.
What are the key properties of 4-(2-methyl-1H-indole-3-carbonyl)benzonitrile?
4-(2-methyl-1H-indole-3-carbonyl)benzonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-indole-3-carbonyl)benzonitrile is sourced from PubChem (CID 10422724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).