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

C20H17ClF3N3O2 — CID 17344609

IUPAC2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCC(C)N1C(=O)C(NC(=O)c2ccccc2Cl)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C20H17ClF3N3O2/c1-12(2)27-16(13-8-4-3-5-9-13)25-19(18(27)29,20(22,23)24)26-17(28)14-10-6-7-11-15(14)21/h3-12H,1-2H3,(H,26,28)
InChIKeySGJDJZUCBWLINF-UHFFFAOYSA-N
MW423.82 g/mol
LogP4.03
Rot. Bonds4

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

2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 17344609) has the molecular formula C20H17ClF3N3O2 and a molecular weight of 423.82 g/mol. Its IUPAC name is 2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID17344609
Molecular FormulaC20H17ClF3N3O2
Molecular Weight423.82 g/mol
Exact Mass423.10
IUPAC Name2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCC(C)N1C(=O)C(NC(=O)c2ccccc2Cl)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C20H17ClF3N3O2/c1-12(2)27-16(13-8-4-3-5-9-13)25-19(18(27)29,20(22,23)24)26-17(28)14-10-6-7-11-15(14)21/h3-12H,1-2H3,(H,26,28)
InChIKeySGJDJZUCBWLINF-UHFFFAOYSA-N
XLogP4.03
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51525464
2-chloro-N-[(4R)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 29098751
2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344697
2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344615
2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344708
4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344357
3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide
CID 17344601
4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28963503
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
CID 16764273
4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506286
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
CID 17344373
4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 17344609) is 2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide is CC(C)N1C(=O)C(NC(=O)c2ccccc2Cl)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is SGJDJZUCBWLINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O2/c1-12(2)27-16(13-8-4-3-5-9-13)25-19(18(27)29,20(22,23)24)26-17(28)14-10-6-7-11-15(14)21/h3-12H,1-2H3,(H,26,28).
What are the key properties of 2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 423.82 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 17344609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).