5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde

C12H12N2O — CID 105452812

IUPAC5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde
SMILESCc1cccc(-c2nc(C=O)[nH]c2C)c1
InChIInChI=1S/C12H12N2O/c1-8-4-3-5-10(6-8)12-9(2)13-11(7-15)14-12/h3-7H,1-2H3,(H,13,14)
InChIKeyYIMFTNCJGWCPTI-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.51
Rot. Bonds2

About 5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde

5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde (PubChem CID 105452812) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde
PubChem CID105452812
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde
SMILESCc1cccc(-c2nc(C=O)[nH]c2C)c1
InChIInChI=1S/C12H12N2O/c1-8-4-3-5-10(6-8)12-9(2)13-11(7-15)14-12/h3-7H,1-2H3,(H,13,14)
InChIKeyYIMFTNCJGWCPTI-UHFFFAOYSA-N
XLogP2.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde 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

5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde
CID 105467718
4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 63926384
3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde
CID 105453451
5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde
CID 123356431
4-(2-fluorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 112680136
5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde
CID 105489991
5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde
CID 82373917
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 112586582
1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde
CID 84669489
4-(4-methylphenyl)-5-propan-2-yl-1H-imidazole-2-carbaldehyde
CID 105485729
4-chloro-2-methyl-5-(3-methylphenyl)pyrazole-3-carbaldehyde
CID 83911945

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde?
The IUPAC name of 5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde (CID 105452812) is 5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde is Cc1cccc(-c2nc(C=O)[nH]c2C)c1.
What is the InChIKey of 5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde?
The InChIKey is YIMFTNCJGWCPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-4-3-5-10(6-8)12-9(2)13-11(7-15)14-12/h3-7H,1-2H3,(H,13,14).
What are the key properties of 5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde?
5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 105452812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).