2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde

C11H10N2O2 — CID 10703273

IUPAC2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde
SMILESCOc1ccc(-c2ncc(C=O)[nH]2)cc1
InChIInChI=1S/C11H10N2O2/c1-15-10-4-2-8(3-5-10)11-12-6-9(7-14)13-11/h2-7H,1H3,(H,12,13)
InChIKeyJKVTUMUVHCCEBR-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.90
Rot. Bonds3

About 2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde

2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde (PubChem CID 10703273) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde
PubChem CID10703273
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde
SMILESCOc1ccc(-c2ncc(C=O)[nH]2)cc1
InChIInChI=1S/C11H10N2O2/c1-15-10-4-2-8(3-5-10)11-12-6-9(7-14)13-11/h2-7H,1H3,(H,12,13)
InChIKeyJKVTUMUVHCCEBR-UHFFFAOYSA-N
XLogP1.90
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde 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-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde (CID 10703273) is 2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde is COc1ccc(-c2ncc(C=O)[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde?
The InChIKey is JKVTUMUVHCCEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-10-4-2-8(3-5-10)11-12-6-9(7-14)13-11/h2-7H,1H3,(H,12,13).
What are the key properties of 2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde?
2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 10703273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).