5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid

C26H24N2O3 — CID 10070267

IUPAC5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C26H24N2O3/c29-23(30)18-10-11-19-27-24(20-12-4-1-5-13-20)25(21-14-6-2-7-15-21)28(26(27)31)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2,(H,29,30)
InChIKeyVPVCXCYVVCRXNG-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.23
Rot. Bonds8

About 5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid

5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid (PubChem CID 10070267) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid
PubChem CID10070267
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C26H24N2O3/c29-23(30)18-10-11-19-27-24(20-12-4-1-5-13-20)25(21-14-6-2-7-15-21)28(26(27)31)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2,(H,29,30)
InChIKeyVPVCXCYVVCRXNG-UHFFFAOYSA-N
XLogP5.23
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.23
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid?
The IUPAC name of 5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid (CID 10070267) is 5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid is O=C(O)CCCCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid?
The InChIKey is VPVCXCYVVCRXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c29-23(30)18-10-11-19-27-24(20-12-4-1-5-13-20)25(21-14-6-2-7-15-21)28(26(27)31)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2,(H,29,30).
What are the key properties of 5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid?
5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid has a molecular weight of 412.49 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 10070267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).