N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide

C21H20F3N3O2 — CID 17344368

IUPACN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H20F3N3O2/c1-14(2)18(28)26-20(21(22,23)24)19(29)27(13-15-9-5-3-6-10-15)17(25-20)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,26,28)
InChIKeyPZYJMTIDMIVBRV-UHFFFAOYSA-N
MW403.40 g/mol
LogP3.51
Rot. Bonds5

About N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide

N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide (PubChem CID 17344368) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
PubChem CID17344368
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC NameN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H20F3N3O2/c1-14(2)18(28)26-20(21(22,23)24)19(29)27(13-15-9-5-3-6-10-15)17(25-20)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,26,28)
InChIKeyPZYJMTIDMIVBRV-UHFFFAOYSA-N
XLogP3.51
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-oxo-2-phenyl-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazol-4-yl]acetamide
CID 4909296
2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 17344371
ethyl N-[(4S)-1-[(4-fluorophenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
CID 29021418
N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 29098749
4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796
3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide
CID 17344601
N-[1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344633
(5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 29072701
4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28963503
(5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 51971376
3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344473
N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]pentanamide
CID 17344604

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide (CID 17344368) is N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O.
What is the InChIKey of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide?
The InChIKey is PZYJMTIDMIVBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-14(2)18(28)26-20(21(22,23)24)19(29)27(13-15-9-5-3-6-10-15)17(25-20)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,26,28).
What are the key properties of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide?
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide has a molecular weight of 403.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 17344368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).