2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde

C29H22N2O3 — CID 155928278

IUPAC2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc(C=O)c1O
InChIInChI=1S/C29H22N2O3/c1-34-25-18-22(17-23(19-32)28(25)33)29-30-26(20-11-5-2-6-12-20)27(21-13-7-3-8-14-21)31(29)24-15-9-4-10-16-24/h2-19,33H,1H3
InChIKeyROPABCRKQCJMHY-UHFFFAOYSA-N
MW446.51 g/mol
LogP6.40
Rot. Bonds6

About 2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde

2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde (PubChem CID 155928278) has the molecular formula C29H22N2O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde
PubChem CID155928278
Molecular FormulaC29H22N2O3
Molecular Weight446.51 g/mol
Exact Mass446.16
IUPAC Name2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc(C=O)c1O
InChIInChI=1S/C29H22N2O3/c1-34-25-18-22(17-23(19-32)28(25)33)29-30-26(20-11-5-2-6-12-20)27(21-13-7-3-8-14-21)31(29)24-15-9-4-10-16-24/h2-19,33H,1H3
InChIKeyROPABCRKQCJMHY-UHFFFAOYSA-N
XLogP6.40
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 56.40
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 2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde (CID 155928278) is 2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde is COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde?
The InChIKey is ROPABCRKQCJMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3/c1-34-25-18-22(17-23(19-32)28(25)33)29-30-26(20-11-5-2-6-12-20)27(21-13-7-3-8-14-21)31(29)24-15-9-4-10-16-24/h2-19,33H,1H3.
What are the key properties of 2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde?
2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde has a molecular weight of 446.51 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-(1,4,5-triphenylimidazol-2-yl)benzaldehyde is sourced from PubChem (CID 155928278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).