3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide

C20H20FN3O — CID 46081295

IUPAC3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide
SMILESCc1cc(C)cc(-c2ccc(-n3cncc3C(=O)NCCF)cc2)c1
InChIInChI=1S/C20H20FN3O/c1-14-9-15(2)11-17(10-14)16-3-5-18(6-4-16)24-13-22-12-19(24)20(25)23-8-7-21/h3-6,9-13H,7-8H2,1-2H3,(H,23,25)
InChIKeyIYIRADRYJKPMEE-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.86
Rot. Bonds5

About 3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide

3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide (PubChem CID 46081295) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide
PubChem CID46081295
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide
SMILESCc1cc(C)cc(-c2ccc(-n3cncc3C(=O)NCCF)cc2)c1
InChIInChI=1S/C20H20FN3O/c1-14-9-15(2)11-17(10-14)16-3-5-18(6-4-16)24-13-22-12-19(24)20(25)23-8-7-21/h3-6,9-13H,7-8H2,1-2H3,(H,23,25)
InChIKeyIYIRADRYJKPMEE-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide 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 3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide?
The IUPAC name of 3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide (CID 46081295) is 3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide.
What is the SMILES notation for 3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide?
The canonical SMILES for 3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide is Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)NCCF)cc2)c1.
What is the InChIKey of 3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide?
The InChIKey is IYIRADRYJKPMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-9-15(2)11-17(10-14)16-3-5-18(6-4-16)24-13-22-12-19(24)20(25)23-8-7-21/h3-6,9-13H,7-8H2,1-2H3,(H,23,25).
What are the key properties of 3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide?
3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide is sourced from PubChem (CID 46081295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).