2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole

C6H12N2O2 — CID 55286461

IUPAC2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole
SMILESCOC(OC)C1=NCCN1
InChIInChI=1S/C6H12N2O2/c1-9-6(10-2)5-7-3-4-8-5/h6H,3-4H2,1-2H3,(H,7,8)
InChIKeyKMYBQWNCYFDMHV-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.39
Rot. Bonds3

About 2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole

2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole (PubChem CID 55286461) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole
PubChem CID55286461
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole
SMILESCOC(OC)C1=NCCN1
InChIInChI=1S/C6H12N2O2/c1-9-6(10-2)5-7-3-4-8-5/h6H,3-4H2,1-2H3,(H,7,8)
InChIKeyKMYBQWNCYFDMHV-UHFFFAOYSA-N
XLogP-0.39
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole (CID 55286461) is 2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole is COC(OC)C1=NCCN1.
What is the InChIKey of 2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is KMYBQWNCYFDMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-9-6(10-2)5-7-3-4-8-5/h6H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole?
2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 144.17 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 55286461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).