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

C22H19ClF3N3O3 — CID 17344615

IUPAC2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(CC2CCCO2)C1=O)c1ccccc1Cl
InChIInChI=1S/C22H19ClF3N3O3/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/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,28,30)
InChIKeyPKFOYWBZPKQCFX-UHFFFAOYSA-N
MW465.86 g/mol
LogP3.80
Rot. Bonds5

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

2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 17344615) has the molecular formula C22H19ClF3N3O3 and a molecular weight of 465.86 g/mol. Its IUPAC name is 2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID17344615
Molecular FormulaC22H19ClF3N3O3
Molecular Weight465.86 g/mol
Exact Mass465.11
IUPAC Name2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(CC2CCCO2)C1=O)c1ccccc1Cl
InChIInChI=1S/C22H19ClF3N3O3/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/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,28,30)
InChIKeyPKFOYWBZPKQCFX-UHFFFAOYSA-N
XLogP3.80
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344357
2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344534
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide
CID 51542640
4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28963503
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
CID 42578725
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344368
4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796
4-tert-butyl-N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506287
4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 17344615) is 2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is O=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(CC2CCCO2)C1=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is PKFOYWBZPKQCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3/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/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,28,30).
What are the key properties of 2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 465.86 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 17344615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).