5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde

C9H12N2O2 — CID 115015606

IUPAC5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde
SMILESCc1[nH]c(C2CCOC2)nc1C=O
InChIInChI=1S/C9H12N2O2/c1-6-8(4-12)11-9(10-6)7-2-3-13-5-7/h4,7H,2-3,5H2,1H3,(H,10,11)
InChIKeyIQVKZHZJURMOBW-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.03
Rot. Bonds2

About 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde

5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde (PubChem CID 115015606) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde
PubChem CID115015606
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde
SMILESCc1[nH]c(C2CCOC2)nc1C=O
InChIInChI=1S/C9H12N2O2/c1-6-8(4-12)11-9(10-6)7-2-3-13-5-7/h4,7H,2-3,5H2,1H3,(H,10,11)
InChIKeyIQVKZHZJURMOBW-UHFFFAOYSA-N
XLogP1.03
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-2-(oxolan-3-yl)-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-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde
CID 83637053
5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid
CID 115020549
[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine
CID 115015957
4-bromo-5-methyl-2-(oxan-4-yl)-1H-imidazole
CID 153493525
5-methyl-2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 81136991
6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
CID 61311575
5,6-dimethyl-2-(oxan-4-yl)-1H-pyrimidine-4-thione
CID 106476727
2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione
CID 83241763
4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 137264745
5-methyl-2-(2-methyloxan-2-yl)-1H-imidazole-4-carbaldehyde
CID 115025833
2,2-dioxo-6-(oxolan-3-yl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
CID 135860628
ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole
CID 144669764

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde?
The IUPAC name of 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde (CID 115015606) is 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde.
What is the SMILES notation for 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde?
The canonical SMILES for 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde is Cc1[nH]c(C2CCOC2)nc1C=O.
What is the InChIKey of 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde?
The InChIKey is IQVKZHZJURMOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-8(4-12)11-9(10-6)7-2-3-13-5-7/h4,7H,2-3,5H2,1H3,(H,10,11).
What are the key properties of 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde?
5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde has a molecular weight of 180.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde is sourced from PubChem (CID 115015606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).