3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

C21H18F3N3O2 — CID 51508105

IUPAC3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESC=CCN1C(=O)[C@@](NC(=O)c2cccc(C)c2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C21H18F3N3O2/c1-3-12-27-17(15-9-5-4-6-10-15)25-20(19(27)29,21(22,23)24)26-18(28)16-11-7-8-14(2)13-16/h3-11,13H,1,12H2,2H3,(H,26,28)/t20-/m1/s1
InChIKeyAFYHDHSGXZGLJJ-HXUWFJFHSA-N
MW401.39 g/mol
LogP3.46
Rot. Bonds5

About 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 51508105) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID51508105
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC Name3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESC=CCN1C(=O)[C@@](NC(=O)c2cccc(C)c2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C21H18F3N3O2/c1-3-12-27-17(15-9-5-4-6-10-15)25-20(19(27)29,21(22,23)24)26-18(28)16-11-7-8-14(2)13-16/h3-11,13H,1,12H2,2H3,(H,26,28)/t20-/m1/s1
InChIKeyAFYHDHSGXZGLJJ-HXUWFJFHSA-N
XLogP3.46
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-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

Related Compounds

3-methyl-N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51508104
3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28922592
N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide
CID 16762672
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 29057100
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide
CID 51542640
(5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one
CID 29111342
3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344493
4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344357
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344368
3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344473
4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796
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 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 51508105) is 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is C=CCN1C(=O)[C@@](NC(=O)c2cccc(C)c2)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is AFYHDHSGXZGLJJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-3-12-27-17(15-9-5-4-6-10-15)25-20(19(27)29,21(22,23)24)26-18(28)16-11-7-8-14(2)13-16/h3-11,13H,1,12H2,2H3,(H,26,28)/t20-/m1/s1.
What are the key properties of 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 401.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 51508105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).