N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide

C19H15ClF3N3O2 — CID 17344621

IUPACN-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide
SMILESCC1=NC(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H15ClF3N3O2/c1-12-24-18(19(21,22)23,25-16(27)14-7-9-15(20)10-8-14)17(28)26(12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,25,27)
InChIKeyZKMLMMRUQPMAQK-UHFFFAOYSA-N
MW409.80 g/mol
LogP3.79
Rot. Bonds4

About N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide

N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide (PubChem CID 17344621) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide
PubChem CID17344621
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC NameN-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide
SMILESCC1=NC(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H15ClF3N3O2/c1-12-24-18(19(21,22)23,25-16(27)14-7-9-15(20)10-8-14)17(28)26(12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,25,27)
InChIKeyZKMLMMRUQPMAQK-UHFFFAOYSA-N
XLogP3.79
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344357
2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344708
N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide
CID 17344757
4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28963503
4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796
N-[1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344633
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344368
3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28922592
N-[(5R)-1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-chlorobenzamide
CID 2217217
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618
3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344473
ethyl N-[(4S)-1-[(4-fluorophenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
CID 29021418

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide (CID 17344621) is N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide is CC1=NC(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1Cc1ccccc1.
What is the InChIKey of N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide?
The InChIKey is ZKMLMMRUQPMAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-12-24-18(19(21,22)23,25-16(27)14-7-9-15(20)10-8-14)17(28)26(12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,25,27).
What are the key properties of N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide?
N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide has a molecular weight of 409.80 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide is sourced from PubChem (CID 17344621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).