5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde

C29H21ClN2O3 — CID 155928284

IUPAC5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(Cl)cc2)cc(C=O)c1O
InChIInChI=1S/C29H21ClN2O3/c1-35-25-17-21(16-22(18-33)28(25)34)29-31-26(19-8-4-2-5-9-19)27(20-10-6-3-7-11-20)32(29)24-14-12-23(30)13-15-24/h2-18,34H,1H3
InChIKeyMHURJSFOCDCNCI-UHFFFAOYSA-N
MW480.95 g/mol
LogP7.05
Rot. Bonds6

About 5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde

5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde (PubChem CID 155928284) has the molecular formula C29H21ClN2O3 and a molecular weight of 480.95 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde
PubChem CID155928284
Molecular FormulaC29H21ClN2O3
Molecular Weight480.95 g/mol
Exact Mass480.12
IUPAC Name5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(Cl)cc2)cc(C=O)c1O
InChIInChI=1S/C29H21ClN2O3/c1-35-25-17-21(16-22(18-33)28(25)34)29-31-26(19-8-4-2-5-9-19)27(20-10-6-3-7-11-20)32(29)24-14-12-23(30)13-15-24/h2-18,34H,1H3
InChIKeyMHURJSFOCDCNCI-UHFFFAOYSA-N
XLogP7.05
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.95
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde (CID 155928284) is 5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde is COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(Cl)cc2)cc(C=O)c1O.
What is the InChIKey of 5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is MHURJSFOCDCNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21ClN2O3/c1-35-25-17-21(16-22(18-33)28(25)34)29-31-26(19-8-4-2-5-9-19)27(20-10-6-3-7-11-20)32(29)24-14-12-23(30)13-15-24/h2-18,34H,1H3.
What are the key properties of 5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde?
5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 480.95 g/mol, XLogP of 7.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 155928284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).