[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate

C24H17ClN2O3 — CID 150918707

IUPAC[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate
SMILESCC(=O)C(=O)On1c(-c2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H17ClN2O3/c1-16(28)24(29)30-27-22(18-12-6-3-7-13-18)21(17-10-4-2-5-11-17)26-23(27)19-14-8-9-15-20(19)25/h2-15H,1H3
InChIKeyLDOCKIYEVBFNKS-UHFFFAOYSA-N
MW416.86 g/mol
LogP5.08
Rot. Bonds5

About [2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate

[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate (PubChem CID 150918707) has the molecular formula C24H17ClN2O3 and a molecular weight of 416.86 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate
PubChem CID150918707
Molecular FormulaC24H17ClN2O3
Molecular Weight416.86 g/mol
Exact Mass416.09
IUPAC Name[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate
SMILESCC(=O)C(=O)On1c(-c2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H17ClN2O3/c1-16(28)24(29)30-27-22(18-12-6-3-7-13-18)21(17-10-4-2-5-11-17)26-23(27)19-14-8-9-15-20(19)25/h2-15H,1H3
InChIKeyLDOCKIYEVBFNKS-UHFFFAOYSA-N
XLogP5.08
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate?
The IUPAC name of [2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate (CID 150918707) is [2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate.
What is the SMILES notation for [2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate?
The canonical SMILES for [2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate is CC(=O)C(=O)On1c(-c2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of [2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate?
The InChIKey is LDOCKIYEVBFNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3/c1-16(28)24(29)30-27-22(18-12-6-3-7-13-18)21(17-10-4-2-5-11-17)26-23(27)19-14-8-9-15-20(19)25/h2-15H,1H3.
What are the key properties of [2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate?
[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate has a molecular weight of 416.86 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate is sourced from PubChem (CID 150918707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).