[5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate

C21H21FN2O2 — CID 21273585

IUPAC[5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate
SMILESCC(=O)OCc1c(-c2ccc(F)cc2)nc(-c2ccccc2)n1C(C)C
InChIInChI=1S/C21H21FN2O2/c1-14(2)24-19(13-26-15(3)25)20(16-9-11-18(22)12-10-16)23-21(24)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3
InChIKeyDWTWNZLQSJDQFY-UHFFFAOYSA-N
MW352.41 g/mol
LogP5.00
Rot. Bonds5

About [5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate

[5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate (PubChem CID 21273585) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate
PubChem CID21273585
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name[5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate
SMILESCC(=O)OCc1c(-c2ccc(F)cc2)nc(-c2ccccc2)n1C(C)C
InChIInChI=1S/C21H21FN2O2/c1-14(2)24-19(13-26-15(3)25)20(16-9-11-18(22)12-10-16)23-21(24)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3
InChIKeyDWTWNZLQSJDQFY-UHFFFAOYSA-N
XLogP5.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-(2-ethyl-4,5-diphenyl-1H-imidazol-1-yl)heptanoate
CID 25190469
ethyl 7-[4,5-bis(4-fluorophenyl)-2-methyl-1H-imidazol-1-yl]heptanoate
CID 25190480
ethyl 6-(2-ethyl-4,5-diphenyl-1H-imidazol-1-yl)hexanoate
CID 25190468
ethyl 8-(2-ethyl-4,5-diphenyl-1H-imidazol-1-yl)octanoate
CID 25190470
ethyl 2-methyl-7-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)heptanoate
CID 25190471
ethyl 2-ethyl-7-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)heptanoate
CID 25190472
1-Benzyloxycarbonylmethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12004578
Methyl 8-(2-ethyl-4,5-diphenylimidazol-1-yl)octanoate
CID 44431635
Ethyl 3-methyl-8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoate
CID 44431636
1H-Imidazole-1-propanenitrile, 4,5-bis[(2-cyanoethoxy)methyl]-2-phenyl-
CID 103430
2-Isopropyl-7-(2-methyl-4,5-diphenyl-imidazol-1-yl)-heptanoic acid ethyl ester
CID 25190473
1-Benzyloxycarbonylmethyl-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005763

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate?
The IUPAC name of [5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate (CID 21273585) is [5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate.
What is the SMILES notation for [5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate?
The canonical SMILES for [5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate is CC(=O)OCc1c(-c2ccc(F)cc2)nc(-c2ccccc2)n1C(C)C.
What is the InChIKey of [5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate?
The InChIKey is DWTWNZLQSJDQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-14(2)24-19(13-26-15(3)25)20(16-9-11-18(22)12-10-16)23-21(24)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3.
What are the key properties of [5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate?
[5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate has a molecular weight of 352.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-phenyl-3-propan-2-ylimidazol-4-yl]methyl acetate is sourced from PubChem (CID 21273585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).