4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide

C18H16FN3O — CID 3692455

IUPAC4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide
SMILESCc1ccc(-c2cnc(NC(=O)c3ccc(F)cc3)n2C)cc1
InChIInChI=1S/C18H16FN3O/c1-12-3-5-13(6-4-12)16-11-20-18(22(16)2)21-17(23)14-7-9-15(19)10-8-14/h3-11H,1-2H3,(H,20,21,23)
InChIKeyUOSGXCZMXIAAAL-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.79
Rot. Bonds3

About 4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide

4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide (PubChem CID 3692455) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide
PubChem CID3692455
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide
SMILESCc1ccc(-c2cnc(NC(=O)c3ccc(F)cc3)n2C)cc1
InChIInChI=1S/C18H16FN3O/c1-12-3-5-13(6-4-12)16-11-20-18(22(16)2)21-17(23)14-7-9-15(19)10-8-14/h3-11H,1-2H3,(H,20,21,23)
InChIKeyUOSGXCZMXIAAAL-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide 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 4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide (CID 3692455) is 4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide is Cc1ccc(-c2cnc(NC(=O)c3ccc(F)cc3)n2C)cc1.
What is the InChIKey of 4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide?
The InChIKey is UOSGXCZMXIAAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-3-5-13(6-4-12)16-11-20-18(22(16)2)21-17(23)14-7-9-15(19)10-8-14/h3-11H,1-2H3,(H,20,21,23).
What are the key properties of 4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide?
4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide has a molecular weight of 309.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]benzamide is sourced from PubChem (CID 3692455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).