5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde

C12H12N2O2 — CID 84681714

IUPAC5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde
SMILESCOc1ccc(-c2cnc(C=O)n2C)cc1
InChIInChI=1S/C12H12N2O2/c1-14-11(7-13-12(14)8-15)9-3-5-10(16-2)6-4-9/h3-8H,1-2H3
InChIKeyNLHREYPFVSNCQQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.91
Rot. Bonds3

About 5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde

5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde (PubChem CID 84681714) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde
PubChem CID84681714
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde
SMILESCOc1ccc(-c2cnc(C=O)n2C)cc1
InChIInChI=1S/C12H12N2O2/c1-14-11(7-13-12(14)8-15)9-3-5-10(16-2)6-4-9/h3-8H,1-2H3
InChIKeyNLHREYPFVSNCQQ-UHFFFAOYSA-N
XLogP1.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
CID 53243372
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096852
4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde
CID 134848891
1-(dimethoxymethyl)-5-phenylimidazole-2-carbaldehyde
CID 19833684
5-(4-methoxyphenyl)-1-methyl-N-[(E)-3-phenylprop-2-enyl]imidazol-2-amine
CID 45147014
5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 4000715
5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 138040977
3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 157018746
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 136545418
N-(3,5-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 18569187
5-(4-methoxyphenyl)-1-octylimidazol-2-amine
CID 50941070
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde?
The IUPAC name of 5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde (CID 84681714) is 5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde is COc1ccc(-c2cnc(C=O)n2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde?
The InChIKey is NLHREYPFVSNCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14-11(7-13-12(14)8-15)9-3-5-10(16-2)6-4-9/h3-8H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde?
5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde is sourced from PubChem (CID 84681714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).