5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile

C11H8FN3 — CID 82373801

IUPAC5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile
SMILESCc1nc(C#N)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H8FN3/c1-7-14-10(6-13)11(15-7)8-2-4-9(12)5-3-8/h2-5H,1H3,(H,14,15)
InChIKeyBAMRWKKDXLPEDZ-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.40
Rot. Bonds1

About 5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile

5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile (PubChem CID 82373801) has the molecular formula C11H8FN3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile
PubChem CID82373801
Molecular FormulaC11H8FN3
Molecular Weight201.20 g/mol
Exact Mass201.07
IUPAC Name5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile
SMILESCc1nc(C#N)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H8FN3/c1-7-14-10(6-13)11(15-7)8-2-4-9(12)5-3-8/h2-5H,1H3,(H,14,15)
InChIKeyBAMRWKKDXLPEDZ-UHFFFAOYSA-N
XLogP2.40
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-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-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile (CID 82373801) is 5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile is Cc1nc(C#N)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile?
The InChIKey is BAMRWKKDXLPEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3/c1-7-14-10(6-13)11(15-7)8-2-4-9(12)5-3-8/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile?
5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile has a molecular weight of 201.20 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile is sourced from PubChem (CID 82373801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).