2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde

C29H21N3O5 — CID 155928296

IUPAC2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2cccc([N+](=O)[O-])c2)cc(C=O)c1O
InChIInChI=1S/C29H21N3O5/c1-37-25-16-21(15-22(18-33)28(25)34)29-30-26(19-9-4-2-5-10-19)27(20-11-6-3-7-12-20)31(29)23-13-8-14-24(17-23)32(35)36/h2-18,34H,1H3
InChIKeySBSZLYRNRGWGKL-UHFFFAOYSA-N
MW491.50 g/mol
LogP6.31
Rot. Bonds7

About 2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde

2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde (PubChem CID 155928296) has the molecular formula C29H21N3O5 and a molecular weight of 491.50 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde
PubChem CID155928296
Molecular FormulaC29H21N3O5
Molecular Weight491.50 g/mol
Exact Mass491.15
IUPAC Name2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2cccc([N+](=O)[O-])c2)cc(C=O)c1O
InChIInChI=1S/C29H21N3O5/c1-37-25-16-21(15-22(18-33)28(25)34)29-30-26(19-9-4-2-5-10-19)27(20-11-6-3-7-12-20)31(29)23-13-8-14-24(17-23)32(35)36/h2-18,34H,1H3
InChIKeySBSZLYRNRGWGKL-UHFFFAOYSA-N
XLogP6.31
TPSA107.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.50
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde (CID 155928296) is 2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde is COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2cccc([N+](=O)[O-])c2)cc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde?
The InChIKey is SBSZLYRNRGWGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O5/c1-37-25-16-21(15-22(18-33)28(25)34)29-30-26(19-9-4-2-5-10-19)27(20-11-6-3-7-12-20)31(29)23-13-8-14-24(17-23)32(35)36/h2-18,34H,1H3.
What are the key properties of 2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde?
2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde has a molecular weight of 491.50 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-[1-(3-nitrophenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde is sourced from PubChem (CID 155928296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).