8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid

C23H26N2O3 — CID 12883903

IUPAC8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid
SMILESO=C(O)CCCCCCCn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C23H26N2O3/c26-20(27)16-10-2-1-3-11-17-25-22(19-14-8-5-9-15-19)21(24-23(25)28)18-12-6-4-7-13-18/h4-9,12-15H,1-3,10-11,16-17H2,(H,24,28)(H,26,27)
InChIKeyPOMGINZWZMVAQH-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.94
Rot. Bonds10

About 8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid

8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid (PubChem CID 12883903) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid.

Molecular Properties

Compound Name8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid
PubChem CID12883903
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid
SMILESO=C(O)CCCCCCCn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C23H26N2O3/c26-20(27)16-10-2-1-3-11-17-25-22(19-14-8-5-9-15-19)21(24-23(25)28)18-12-6-4-7-13-18/h4-9,12-15H,1-3,10-11,16-17H2,(H,24,28)(H,26,27)
InChIKeyPOMGINZWZMVAQH-UHFFFAOYSA-N
XLogP4.94
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid?
The IUPAC name of 8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid (CID 12883903) is 8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid.
What is the SMILES notation for 8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid?
The canonical SMILES for 8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid is O=C(O)CCCCCCCn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid?
The InChIKey is POMGINZWZMVAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-20(27)16-10-2-1-3-11-17-25-22(19-14-8-5-9-15-19)21(24-23(25)28)18-12-6-4-7-13-18/h4-9,12-15H,1-3,10-11,16-17H2,(H,24,28)(H,26,27).
What are the key properties of 8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid?
8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid has a molecular weight of 378.47 g/mol, XLogP of 4.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)octanoic acid is sourced from PubChem (CID 12883903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).