methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate

C24H28N2O3 — CID 12961709

IUPACmethyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate
SMILESCOC(=O)CCCCCCCn1cc(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C24H28N2O3/c1-29-23(27)17-11-3-2-4-12-18-25-19-22(20-13-7-5-8-14-20)26(24(25)28)21-15-9-6-10-16-21/h5-10,13-16,19H,2-4,11-12,17-18H2,1H3
InChIKeyVBSJEMPAPLLAPW-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.82
Rot. Bonds10

About methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate

methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate (PubChem CID 12961709) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate.

Molecular Properties

Compound Namemethyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate
PubChem CID12961709
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Namemethyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate
SMILESCOC(=O)CCCCCCCn1cc(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C24H28N2O3/c1-29-23(27)17-11-3-2-4-12-18-25-19-22(20-13-7-5-8-14-20)26(24(25)28)21-15-9-6-10-16-21/h5-10,13-16,19H,2-4,11-12,17-18H2,1H3
InChIKeyVBSJEMPAPLLAPW-UHFFFAOYSA-N
XLogP4.82
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate?
The IUPAC name of methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate (CID 12961709) is methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate.
What is the SMILES notation for methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate?
The canonical SMILES for methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate is COC(=O)CCCCCCCn1cc(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate?
The InChIKey is VBSJEMPAPLLAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-29-23(27)17-11-3-2-4-12-18-25-19-22(20-13-7-5-8-14-20)26(24(25)28)21-15-9-6-10-16-21/h5-10,13-16,19H,2-4,11-12,17-18H2,1H3.
What are the key properties of methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate?
methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate has a molecular weight of 392.50 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(2-oxo-3,4-diphenylimidazol-1-yl)octanoate is sourced from PubChem (CID 12961709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).