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

C20H18F3N3O — CID 56683282

IUPAC2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
SMILESCc1nc(-c2ccccc2)n(C)c1CC(=O)NCc1ccc(F)c(F)c1F
InChIInChI=1S/C20H18F3N3O/c1-12-16(26(2)20(25-12)13-6-4-3-5-7-13)10-17(27)24-11-14-8-9-15(21)19(23)18(14)22/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyMNPFLFYAGYCCHG-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.67
Rot. Bonds5

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

2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide (PubChem CID 56683282) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
PubChem CID56683282
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
SMILESCc1nc(-c2ccccc2)n(C)c1CC(=O)NCc1ccc(F)c(F)c1F
InChIInChI=1S/C20H18F3N3O/c1-12-16(26(2)20(25-12)13-6-4-3-5-7-13)10-17(27)24-11-14-8-9-15(21)19(23)18(14)22/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyMNPFLFYAGYCCHG-UHFFFAOYSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.67
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
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N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide
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2-methyl-N-{2-[1-(2-phenylethyl)-1H-benzimidazol-2-yl]ethyl}propanamide
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N-Cyclohexyl-4,5-di-(4-methylphenyl)-1-methylimidazole-2-carboxamide
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(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
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12-Butanoyl-4-(2-fluorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
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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-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide (CID 56683282) is 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide is Cc1nc(-c2ccccc2)n(C)c1CC(=O)NCc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide?
The InChIKey is MNPFLFYAGYCCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-12-16(26(2)20(25-12)13-6-4-3-5-7-13)10-17(27)24-11-14-8-9-15(21)19(23)18(14)22/h3-9H,10-11H2,1-2H3,(H,24,27).
What are the key properties of 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide?
2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide has a molecular weight of 373.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide is sourced from PubChem (CID 56683282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).