2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde

C6H10N2O — CID 88970928

IUPAC2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde
SMILESCC1(C)NC=C(C=O)N1
InChIInChI=1S/C6H10N2O/c1-6(2)7-3-5(4-9)8-6/h3-4,7-8H,1-2H3
InChIKeyJJSGKSWYBUEGIL-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.04
Rot. Bonds1

About 2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde

2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde (PubChem CID 88970928) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde
PubChem CID88970928
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde
SMILESCC1(C)NC=C(C=O)N1
InChIInChI=1S/C6H10N2O/c1-6(2)7-3-5(4-9)8-6/h3-4,7-8H,1-2H3
InChIKeyJJSGKSWYBUEGIL-UHFFFAOYSA-N
XLogP-0.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-1,3-dihydroimidazole-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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde?
The IUPAC name of 2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde (CID 88970928) is 2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde.
What is the SMILES notation for 2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde?
The canonical SMILES for 2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde is CC1(C)NC=C(C=O)N1.
What is the InChIKey of 2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde?
The InChIKey is JJSGKSWYBUEGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6(2)7-3-5(4-9)8-6/h3-4,7-8H,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde?
2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde has a molecular weight of 126.16 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dihydroimidazole-4-carbaldehyde is sourced from PubChem (CID 88970928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).