2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide

C21H20F3N3O — CID 56662912

IUPAC2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
SMILESCCn1c(-c2ccccc2)nc(C)c1CC(=O)NCc1ccc(F)c(F)c1F
InChIInChI=1S/C21H20F3N3O/c1-3-27-17(13(2)26-21(27)14-7-5-4-6-8-14)11-18(28)25-12-15-9-10-16(22)20(24)19(15)23/h4-10H,3,11-12H2,1-2H3,(H,25,28)
InChIKeyUSMUJOYBPMHEPX-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.15
Rot. Bonds6

About 2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide

2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide (PubChem CID 56662912) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
PubChem CID56662912
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
SMILESCCn1c(-c2ccccc2)nc(C)c1CC(=O)NCc1ccc(F)c(F)c1F
InChIInChI=1S/C21H20F3N3O/c1-3-27-17(13(2)26-21(27)14-7-5-4-6-8-14)11-18(28)25-12-15-9-10-16(22)20(24)19(15)23/h4-10H,3,11-12H2,1-2H3,(H,25,28)
InChIKeyUSMUJOYBPMHEPX-UHFFFAOYSA-N
XLogP4.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 49856296
N,N-dimethyl-7-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)heptanamide
CID 25190475
N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 4753644
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide
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2-methyl-N-{2-[1-(2-phenylethyl)-1H-benzimidazol-2-yl]ethyl}propanamide
CID 955335
N-Cyclohexyl-4,5-di-(4-methylphenyl)-1-methylimidazole-2-carboxamide
CID 10134835
(3R)-3-amino-1-(4-benzyl-1-methyl-2-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 10255762
(3R)-1-(4-(4-fluorobenzyl)-1-methyl-2-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one
CID 10324641
(3R)-3-amino-1-(1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 10433039
12-Butanoyl-4-(2-fluorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 10893600
4-(2-Fluorophenyl)-12-(2-phenylacetyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 15680234
(2R)-2-[(8S)-3-ethyl-1-(trifluoromethyl)-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
CID 24960290

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide (CID 56662912) is 2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide is CCn1c(-c2ccccc2)nc(C)c1CC(=O)NCc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide?
The InChIKey is USMUJOYBPMHEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-3-27-17(13(2)26-21(27)14-7-5-4-6-8-14)11-18(28)25-12-15-9-10-16(22)20(24)19(15)23/h4-10H,3,11-12H2,1-2H3,(H,25,28).
What are the key properties of 2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide?
2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide has a molecular weight of 387.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide is sourced from PubChem (CID 56662912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).