3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide

C19H22F3N3O2 — CID 4257394

IUPAC3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O
InChIInChI=1S/C19H22F3N3O2/c20-19(21,22)18(24-15(26)12-11-13-7-3-1-4-8-13)17(27)23-16(25-18)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,24,26)(H,23,25,27)
InChIKeyHLWADPCTHCTOHB-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.30
Rot. Bonds5

About 3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide

3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide (PubChem CID 4257394) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide
PubChem CID4257394
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O
InChIInChI=1S/C19H22F3N3O2/c20-19(21,22)18(24-15(26)12-11-13-7-3-1-4-8-13)17(27)23-16(25-18)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,24,26)(H,23,25,27)
InChIKeyHLWADPCTHCTOHB-UHFFFAOYSA-N
XLogP3.30
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 51506909
3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide
CID 3721563
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide
CID 2023554
N-(2-chloro-2-phenylethyl)-3-cyclohexylpropanamide
CID 114296062
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764878
methyl 2-[[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 2962161
phenyl 1-(3-cyclopentylpropanoylamino)-6-methoxy-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazole-5-carboxylate
CID 137157197
1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
CID 43329530
3-cyclohexyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62519861
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517314
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
CID 17344373
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide (CID 4257394) is 3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide is O=C(CCC1CCCCC1)NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O.
What is the InChIKey of 3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide?
The InChIKey is HLWADPCTHCTOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c20-19(21,22)18(24-15(26)12-11-13-7-3-1-4-8-13)17(27)23-16(25-18)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,24,26)(H,23,25,27).
What are the key properties of 3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide?
3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide has a molecular weight of 381.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide is sourced from PubChem (CID 4257394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).