5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide

C17H12F3N3O — CID 11450354

IUPAC5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide
SMILESNC(=O)c1ncc(-c2cccc(-c3ccccc3C(F)(F)F)c2)[nH]1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)13-7-2-1-6-12(13)10-4-3-5-11(8-10)14-9-22-16(23-14)15(21)24/h1-9H,(H2,21,24)(H,22,23)
InChIKeyFNXJLFFFNIDKMC-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.86
Rot. Bonds3

About 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide

5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 11450354) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID11450354
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide
SMILESNC(=O)c1ncc(-c2cccc(-c3ccccc3C(F)(F)F)c2)[nH]1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)13-7-2-1-6-12(13)10-4-3-5-11(8-10)14-9-22-16(23-14)15(21)24/h1-9H,(H2,21,24)(H,22,23)
InChIKeyFNXJLFFFNIDKMC-UHFFFAOYSA-N
XLogP3.86
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-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 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide (CID 11450354) is 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide is NC(=O)c1ncc(-c2cccc(-c3ccccc3C(F)(F)F)c2)[nH]1.
What is the InChIKey of 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is FNXJLFFFNIDKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)13-7-2-1-6-12(13)10-4-3-5-11(8-10)14-9-22-16(23-14)15(21)24/h1-9H,(H2,21,24)(H,22,23).
What are the key properties of 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide?
5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 331.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11450354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).