3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde

C23H17ClN2O — CID 177409490

IUPAC3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde
SMILESCc1cccc(-c2nc(-c3ccccc3)c(C=O)n2-c2cccc(Cl)c2)c1
InChIInChI=1S/C23H17ClN2O/c1-16-7-5-10-18(13-16)23-25-22(17-8-3-2-4-9-17)21(15-27)26(23)20-12-6-11-19(24)14-20/h2-15H,1H3
InChIKeyYQOAFQXUBSWELA-UHFFFAOYSA-N
MW372.86 g/mol
LogP5.98
Rot. Bonds4

About 3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde

3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde (PubChem CID 177409490) has the molecular formula C23H17ClN2O and a molecular weight of 372.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde
PubChem CID177409490
Molecular FormulaC23H17ClN2O
Molecular Weight372.86 g/mol
Exact Mass372.10
IUPAC Name3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde
SMILESCc1cccc(-c2nc(-c3ccccc3)c(C=O)n2-c2cccc(Cl)c2)c1
InChIInChI=1S/C23H17ClN2O/c1-16-7-5-10-18(13-16)23-25-22(17-8-3-2-4-9-17)21(15-27)26(23)20-12-6-11-19(24)14-20/h2-15H,1H3
InChIKeyYQOAFQXUBSWELA-UHFFFAOYSA-N
XLogP5.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde?
The IUPAC name of 3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde (CID 177409490) is 3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde?
The canonical SMILES for 3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde is Cc1cccc(-c2nc(-c3ccccc3)c(C=O)n2-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde?
The InChIKey is YQOAFQXUBSWELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O/c1-16-7-5-10-18(13-16)23-25-22(17-8-3-2-4-9-17)21(15-27)26(23)20-12-6-11-19(24)14-20/h2-15H,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde?
3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde has a molecular weight of 372.86 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde is sourced from PubChem (CID 177409490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).