8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid

C24H28N2O2 — CID 10248966

IUPAC8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCCC(=O)O
InChIInChI=1S/C24H28N2O2/c1-19-25-23(20-13-7-5-8-14-20)24(21-15-9-6-10-16-21)26(19)18-12-4-2-3-11-17-22(27)28/h5-10,13-16H,2-4,11-12,17-18H2,1H3,(H,27,28)
InChIKeyMKBWLFNKDKSMMC-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.95
Rot. Bonds10

About 8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid

8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid (PubChem CID 10248966) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid.

Molecular Properties

Compound Name8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid
PubChem CID10248966
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCCC(=O)O
InChIInChI=1S/C24H28N2O2/c1-19-25-23(20-13-7-5-8-14-20)24(21-15-9-6-10-16-21)26(19)18-12-4-2-3-11-17-22(27)28/h5-10,13-16H,2-4,11-12,17-18H2,1H3,(H,27,28)
InChIKeyMKBWLFNKDKSMMC-UHFFFAOYSA-N
XLogP5.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.95
H-Bond Donors ≤ 51
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-methyl-4,5-diphenylimidazol-1-yl)octanoic acid?
The IUPAC name of 8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid (CID 10248966) is 8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid.
What is the SMILES notation for 8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid?
The canonical SMILES for 8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid is Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCCC(=O)O.
What is the InChIKey of 8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid?
The InChIKey is MKBWLFNKDKSMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-19-25-23(20-13-7-5-8-14-20)24(21-15-9-6-10-16-21)26(19)18-12-4-2-3-11-17-22(27)28/h5-10,13-16H,2-4,11-12,17-18H2,1H3,(H,27,28).
What are the key properties of 8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid?
8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid has a molecular weight of 376.50 g/mol, XLogP of 5.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoic acid is sourced from PubChem (CID 10248966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).