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

C26H22F3N3O2 — CID 28922592

IUPAC3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C26H22F3N3O2/c1-18-9-8-14-21(17-18)23(33)31-25(26(27,28)29)24(34)32(16-15-19-10-4-2-5-11-19)22(30-25)20-12-6-3-7-13-20/h2-14,17H,15-16H2,1H3,(H,31,33)/t25-/m1/s1
InChIKeyMNOFCOZYHJBUAG-RUZDIDTESA-N
MW465.48 g/mol
LogP4.52
Rot. Bonds6

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

3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 28922592) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID28922592
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC Name3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C26H22F3N3O2/c1-18-9-8-14-21(17-18)23(33)31-25(26(27,28)29)24(34)32(16-15-19-10-4-2-5-11-19)22(30-25)20-12-6-3-7-13-20/h2-14,17H,15-16H2,1H3,(H,31,33)/t25-/m1/s1
InChIKeyMNOFCOZYHJBUAG-RUZDIDTESA-N
XLogP4.52
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51508105
4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28963503
N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]pentanamide
CID 17344604
4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344357
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide
CID 51542640
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344368
N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide
CID 16762672
4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796
3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344473
3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide
CID 17344601
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 29057100

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 28922592) is 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide is Cc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(CCc3ccccc3)C2=O)c1.
What is the InChIKey of 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is MNOFCOZYHJBUAG-RUZDIDTESA-N. The full InChI is InChI=1S/C26H22F3N3O2/c1-18-9-8-14-21(17-18)23(33)31-25(26(27,28)29)24(34)32(16-15-19-10-4-2-5-11-19)22(30-25)20-12-6-3-7-13-20/h2-14,17H,15-16H2,1H3,(H,31,33)/t25-/m1/s1.
What are the key properties of 3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide?
3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 465.48 g/mol, XLogP of 4.52, 6 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-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 28922592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).