8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid

C29H29FN2O3 — CID 13279652

IUPAC8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid
SMILESO=C(O)CCCCCCCOc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1F
InChIInChI=1S/C29H29FN2O3/c30-24-18-11-12-19-25(24)32-28(23-16-8-5-9-17-23)27(22-14-6-4-7-15-22)31-29(32)35-21-13-3-1-2-10-20-26(33)34/h4-9,11-12,14-19H,1-3,10,13,20-21H2,(H,33,34)
InChIKeySOHWUNQKJJZWOM-UHFFFAOYSA-N
MW472.56 g/mol
LogP7.15
Rot. Bonds12

About 8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid

8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid (PubChem CID 13279652) has the molecular formula C29H29FN2O3 and a molecular weight of 472.56 g/mol. Its IUPAC name is 8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid.

Molecular Properties

Compound Name8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid
PubChem CID13279652
Molecular FormulaC29H29FN2O3
Molecular Weight472.56 g/mol
Exact Mass472.22
IUPAC Name8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid
SMILESO=C(O)CCCCCCCOc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1F
InChIInChI=1S/C29H29FN2O3/c30-24-18-11-12-19-25(24)32-28(23-16-8-5-9-17-23)27(22-14-6-4-7-15-22)31-29(32)35-21-13-3-1-2-10-20-26(33)34/h4-9,11-12,14-19H,1-3,10,13,20-21H2,(H,33,34)
InChIKeySOHWUNQKJJZWOM-UHFFFAOYSA-N
XLogP7.15
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Octimibate
CID 65676
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 8-(2-ethyl-4,5-diphenyl-1H-imidazol-1-yl)octanoate
CID 25190470
3-[4-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-(2-fluorophenyl)propanoic acid
CID 10550633
Methyl 8-(2-ethyl-4,5-diphenylimidazol-1-yl)octanoate
CID 44431635
ethyl 4-(4-(2-ethyl-4,5-diphenyl-1H-imidazol-1-yl)phenyl)butanoate
CID 44589102
1-(8-Carboxyoctyl)-2,4,5-triphenylimidazole
CID 9981323
1-(7-Carboxyheptyl)-2,4,5-triphenylimidazole
CID 10003259
8-(2-Methyl-4,5-diphenylimidazol-1-yl)octanoic acid
CID 10248966
8-(4,5-Diphenyl-imidazol-1-yl)octanoic acid
CID 11726166
9-(2-Methyl-4,5-diphenylimidazol-1-yl)nonanoic acid
CID 9977722

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid?
The IUPAC name of 8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid (CID 13279652) is 8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid.
What is the SMILES notation for 8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid?
The canonical SMILES for 8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid is O=C(O)CCCCCCCOc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1F.
What is the InChIKey of 8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid?
The InChIKey is SOHWUNQKJJZWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN2O3/c30-24-18-11-12-19-25(24)32-28(23-16-8-5-9-17-23)27(22-14-6-4-7-15-22)31-29(32)35-21-13-3-1-2-10-20-26(33)34/h4-9,11-12,14-19H,1-3,10,13,20-21H2,(H,33,34).
What are the key properties of 8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid?
8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid has a molecular weight of 472.56 g/mol, XLogP of 7.15, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid is sourced from PubChem (CID 13279652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).