2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde

C13H14N2O3 — CID 82295070

IUPAC2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde
SMILESCOc1ccc(-c2nc(C=O)c(C)[nH]2)c(OC)c1
InChIInChI=1S/C13H14N2O3/c1-8-11(7-16)15-13(14-8)10-5-4-9(17-2)6-12(10)18-3/h4-7H,1-3H3,(H,14,15)
InChIKeyCFJVZWKYZMQCST-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.21
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde

2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde (PubChem CID 82295070) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde
PubChem CID82295070
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde
SMILESCOc1ccc(-c2nc(C=O)c(C)[nH]2)c(OC)c1
InChIInChI=1S/C13H14N2O3/c1-8-11(7-16)15-13(14-8)10-5-4-9(17-2)6-12(10)18-3/h4-7H,1-3H3,(H,14,15)
InChIKeyCFJVZWKYZMQCST-UHFFFAOYSA-N
XLogP2.21
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-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

2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 63362576
4-chloro-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 13175389
2-(2,4-dimethoxyphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611623
4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778061
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 1036272
2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole
CID 82078942
N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide
CID 134315655
2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106794205
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
7-methoxy-2-methylquinazoline-4-carbaldehyde
CID 105454201
[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] methanesulfonate
CID 13392816
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde (CID 82295070) is 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde is COc1ccc(-c2nc(C=O)c(C)[nH]2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde?
The InChIKey is CFJVZWKYZMQCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-11(7-16)15-13(14-8)10-5-4-9(17-2)6-12(10)18-3/h4-7H,1-3H3,(H,14,15).
What are the key properties of 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde?
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde has a molecular weight of 246.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde is sourced from PubChem (CID 82295070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).