4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde

C13H14N2O — CID 62352057

IUPAC4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1-n1cnc(C)c1C
InChIInChI=1S/C13H14N2O/c1-9-6-12(7-16)4-5-13(9)15-8-14-10(2)11(15)3/h4-8H,1-3H3
InChIKeyJRERRDDQWXREET-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.61
Rot. Bonds2

About 4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde

4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde (PubChem CID 62352057) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde
PubChem CID62352057
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1-n1cnc(C)c1C
InChIInChI=1S/C13H14N2O/c1-9-6-12(7-16)4-5-13(9)15-8-14-10(2)11(15)3/h4-8H,1-3H3
InChIKeyJRERRDDQWXREET-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80632359
3-methyl-4-(1,2,4-triazol-4-yl)benzaldehyde
CID 84661002
3-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 3144104
1-(3-chlorophenyl)-4,5-dimethylimidazole
CID 125478648
1-(4-formyl-2-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 64781543
(1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol
CID 63372231
3-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzaldehyde
CID 66391536
3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde
CID 86724164
[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine
CID 62349826
CID 142080212
CID 142080212
N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63072683
5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide
CID 103287604

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde (CID 62352057) is 4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde is Cc1cc(C=O)ccc1-n1cnc(C)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde?
The InChIKey is JRERRDDQWXREET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-6-12(7-16)4-5-13(9)15-8-14-10(2)11(15)3/h4-8H,1-3H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde?
4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde is sourced from PubChem (CID 62352057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).