5-(4-methylphenyl)-1H-imidazole-2-carbonitrile

C11H9N3 — CID 14455635

IUPAC5-(4-methylphenyl)-1H-imidazole-2-carbonitrile
SMILESCc1ccc(-c2cnc(C#N)[nH]2)cc1
InChIInChI=1S/C11H9N3/c1-8-2-4-9(5-3-8)10-7-13-11(6-12)14-10/h2-5,7H,1H3,(H,13,14)
InChIKeyMPBMEDQTJJCMAP-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.26
Rot. Bonds1

About 5-(4-methylphenyl)-1H-imidazole-2-carbonitrile

5-(4-methylphenyl)-1H-imidazole-2-carbonitrile (PubChem CID 14455635) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-(4-methylphenyl)-1H-imidazole-2-carbonitrile
PubChem CID14455635
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name5-(4-methylphenyl)-1H-imidazole-2-carbonitrile
SMILESCc1ccc(-c2cnc(C#N)[nH]2)cc1
InChIInChI=1S/C11H9N3/c1-8-2-4-9(5-3-8)10-7-13-11(6-12)14-10/h2-5,7H,1H3,(H,13,14)
InChIKeyMPBMEDQTJJCMAP-UHFFFAOYSA-N
XLogP2.26
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-methylphenyl)-1H-imidazole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-(4-methylphenyl)-1H-imidazole-2-carbonitrile (CID 14455635) is 5-(4-methylphenyl)-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-(4-methylphenyl)-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-(4-methylphenyl)-1H-imidazole-2-carbonitrile is Cc1ccc(-c2cnc(C#N)[nH]2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1H-imidazole-2-carbonitrile?
The InChIKey is MPBMEDQTJJCMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-8-2-4-9(5-3-8)10-7-13-11(6-12)14-10/h2-5,7H,1H3,(H,13,14).
What are the key properties of 5-(4-methylphenyl)-1H-imidazole-2-carbonitrile?
5-(4-methylphenyl)-1H-imidazole-2-carbonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 14455635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).