3-(2-methylphenyl)imidazole-4-carbonitrile

C11H9N3 — CID 84659049

IUPAC3-(2-methylphenyl)imidazole-4-carbonitrile
SMILESCc1ccccc1-n1cncc1C#N
InChIInChI=1S/C11H9N3/c1-9-4-2-3-5-11(9)14-8-13-7-10(14)6-12/h2-5,7-8H,1H3
InChIKeyAWMLXOJLZXNLPF-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.05
Rot. Bonds1

About 3-(2-methylphenyl)imidazole-4-carbonitrile

3-(2-methylphenyl)imidazole-4-carbonitrile (PubChem CID 84659049) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(2-methylphenyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name3-(2-methylphenyl)imidazole-4-carbonitrile
PubChem CID84659049
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name3-(2-methylphenyl)imidazole-4-carbonitrile
SMILESCc1ccccc1-n1cncc1C#N
InChIInChI=1S/C11H9N3/c1-9-4-2-3-5-11(9)14-8-13-7-10(14)6-12/h2-5,7-8H,1H3
InChIKeyAWMLXOJLZXNLPF-UHFFFAOYSA-N
XLogP2.05
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol
CID 83887548
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
1-(2-methylphenyl)indole-2-carbonitrile
CID 174595640
3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 79002314
2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile
CID 107802244
1-(2-methylphenyl)indole-5-carbonitrile
CID 174335464
1-(2-methylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 115040094
4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
CID 114708243
8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile
CID 116989824
N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline
CID 152657111
2,3-bis(2-methylphenyl)-1H-tetrazol-1-ium-5-carbonitrile;chloride;hydrate
CID 139759777
5-chloro-1-(2-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 55235580

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)imidazole-4-carbonitrile?
The IUPAC name of 3-(2-methylphenyl)imidazole-4-carbonitrile (CID 84659049) is 3-(2-methylphenyl)imidazole-4-carbonitrile.
What is the SMILES notation for 3-(2-methylphenyl)imidazole-4-carbonitrile?
The canonical SMILES for 3-(2-methylphenyl)imidazole-4-carbonitrile is Cc1ccccc1-n1cncc1C#N.
What is the InChIKey of 3-(2-methylphenyl)imidazole-4-carbonitrile?
The InChIKey is AWMLXOJLZXNLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-9-4-2-3-5-11(9)14-8-13-7-10(14)6-12/h2-5,7-8H,1H3.
What are the key properties of 3-(2-methylphenyl)imidazole-4-carbonitrile?
3-(2-methylphenyl)imidazole-4-carbonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)imidazole-4-carbonitrile is sourced from PubChem (CID 84659049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).