2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde

C12H12N2O — CID 174422837

IUPAC2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde
SMILESCc1ccc(-n2ccnc2CC=O)cc1
InChIInChI=1S/C12H12N2O/c1-10-2-4-11(5-3-10)14-8-7-13-12(14)6-9-15/h2-5,7-9H,6H2,1H3
InChIKeyYNURIJHCMXMLJP-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.92
Rot. Bonds3

About 2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde

2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde (PubChem CID 174422837) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde
PubChem CID174422837
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde
SMILESCc1ccc(-n2ccnc2CC=O)cc1
InChIInChI=1S/C12H12N2O/c1-10-2-4-11(5-3-10)14-8-7-13-12(14)6-9-15/h2-5,7-9H,6H2,1H3
InChIKeyYNURIJHCMXMLJP-UHFFFAOYSA-N
XLogP1.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-(1H-Imidazol-1-yl)phenyl)ethanone
CID 82316
1-(4-Aminobenzyl)-1H-imidazole
CID 1265319
4-(1H-imidazol-1-yl)benzaldehyde
CID 736530
(E)-3-(4-(1H-Imidazol-1-YL)phenyl)acrylic acid
CID 2474210
Benzonitrile, p-imidazol-1-yl-
CID 135744
1-benzyl-1H-imidazole-2-carbaldehyde
CID 139082
1-(4-Trifluoromethylphenyl)imidazole
CID 141198
1-Benzyl-1H-imidazole-5-carboxaldehyde
CID 2773239
1-(m-Tolyl)imidazole
CID 520197
1-(4-Phenylphenyl)imidazole
CID 677923
1H-Imidazole, 1-(2-(1-methylethyl)phenyl)-
CID 3015221
Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate
CID 5875469

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde?
The IUPAC name of 2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde (CID 174422837) is 2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde?
The canonical SMILES for 2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde is Cc1ccc(-n2ccnc2CC=O)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde?
The InChIKey is YNURIJHCMXMLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-10-2-4-11(5-3-10)14-8-7-13-12(14)6-9-15/h2-5,7-9H,6H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde?
2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde has a molecular weight of 200.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde is sourced from PubChem (CID 174422837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).