2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

C22H15ClF3N3O3 — CID 51525464

IUPAC2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESO=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccccc1Cl
InChIInChI=1S/C22H15ClF3N3O3/c23-17-11-5-4-10-16(17)19(30)28-21(22(24,25)26)20(31)29(13-15-9-6-12-32-15)18(27-21)14-7-2-1-3-8-14/h1-12H,13H2,(H,28,30)/t21-/m1/s1
InChIKeyAIQQNTKKLQHPIU-OAQYLSRUSA-N
MW461.83 g/mol
LogP4.41
Rot. Bonds5

About 2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 51525464) has the molecular formula C22H15ClF3N3O3 and a molecular weight of 461.83 g/mol. Its IUPAC name is 2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID51525464
Molecular FormulaC22H15ClF3N3O3
Molecular Weight461.83 g/mol
Exact Mass461.08
IUPAC Name2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESO=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccccc1Cl
InChIInChI=1S/C22H15ClF3N3O3/c23-17-11-5-4-10-16(17)19(30)28-21(22(24,25)26)20(31)29(13-15-9-6-12-32-15)18(27-21)14-7-2-1-3-8-14/h1-12H,13H2,(H,28,30)/t21-/m1/s1
InChIKeyAIQQNTKKLQHPIU-OAQYLSRUSA-N
XLogP4.41
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-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

2-chloro-N-[(4R)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 29098751
2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344609
2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7291568
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide
CID 51542640
(5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 29072072
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
N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide
CID 17344757
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
3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide
CID 17344601
N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
CID 16764288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 51525464) is 2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is AIQQNTKKLQHPIU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H15ClF3N3O3/c23-17-11-5-4-10-16(17)19(30)28-21(22(24,25)26)20(31)29(13-15-9-6-12-32-15)18(27-21)14-7-2-1-3-8-14/h1-12H,13H2,(H,28,30)/t21-/m1/s1.
What are the key properties of 2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 461.83 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 51525464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).