1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde

C9H14N2O — CID 84652474

IUPAC1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde
SMILESCC(C)Cc1cn(C)c(C=O)n1
InChIInChI=1S/C9H14N2O/c1-7(2)4-8-5-11(3)9(6-12)10-8/h5-7H,4H2,1-3H3
InChIKeyWNTOBCLCJNWAOK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.43
Rot. Bonds3

About 1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde

1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde (PubChem CID 84652474) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde
PubChem CID84652474
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde
SMILESCC(C)Cc1cn(C)c(C=O)n1
InChIInChI=1S/C9H14N2O/c1-7(2)4-8-5-11(3)9(6-12)10-8/h5-7H,4H2,1-3H3
InChIKeyWNTOBCLCJNWAOK-UHFFFAOYSA-N
XLogP1.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.43
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

2-formyl-1-methyl-N-propan-2-ylimidazole-4-sulfinamide
CID 142201696
1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole
CID 86155423
4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde
CID 84672147
1-methyl-4-(6-methyl-3-pyridinyl)imidazole-2-carbaldehyde
CID 86687900
1-methyl-4-(1,3-thiazol-2-yl)imidazole-2-carbaldehyde
CID 89487203
1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde
CID 87327068
N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide
CID 156823876
1,5-dimethyl-3-(2-methylpropyl)pyrrole-2-carbaldehyde
CID 84657111
4-(2-methylpropyl)-1-propyltriazole
CID 89029688
5-(2-methylpropyl)pyrimidine-2-carbaldehyde
CID 163243316
4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde
CID 58933006
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate
CID 175584120

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde?
The IUPAC name of 1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde (CID 84652474) is 1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde is CC(C)Cc1cn(C)c(C=O)n1.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde?
The InChIKey is WNTOBCLCJNWAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)4-8-5-11(3)9(6-12)10-8/h5-7H,4H2,1-3H3.
What are the key properties of 1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde?
1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 84652474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).