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

C12H12N2O — CID 84669489

IUPAC1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde
SMILESCc1cccc(-c2nc(C=O)cn2C)c1
InChIInChI=1S/C12H12N2O/c1-9-4-3-5-10(6-9)12-13-11(8-15)7-14(12)2/h3-8H,1-2H3
InChIKeyKZZCLJSUZHINAG-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.21
Rot. Bonds2

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

1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde (PubChem CID 84669489) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde
PubChem CID84669489
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde
SMILESCc1cccc(-c2nc(C=O)cn2C)c1
InChIInChI=1S/C12H12N2O/c1-9-4-3-5-10(6-9)12-13-11(8-15)7-14(12)2/h3-8H,1-2H3
InChIKeyKZZCLJSUZHINAG-UHFFFAOYSA-N
XLogP2.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde?
The IUPAC name of 1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde (CID 84669489) is 1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde?
The canonical SMILES for 1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde is Cc1cccc(-c2nc(C=O)cn2C)c1.
What is the InChIKey of 1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde?
The InChIKey is KZZCLJSUZHINAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-4-3-5-10(6-9)12-13-11(8-15)7-14(12)2/h3-8H,1-2H3.
What are the key properties of 1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde?
1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 84669489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).