1-dodecyl-2-(methoxymethyl)imidazole

C17H32N2O — CID 102458627

IUPAC1-dodecyl-2-(methoxymethyl)imidazole
SMILESCCCCCCCCCCCCn1ccnc1COC
InChIInChI=1S/C17H32N2O/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-18-17(19)16-20-2/h13,15H,3-12,14,16H2,1-2H3
InChIKeyLBXCSPNTYBDTPD-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.95
Rot. Bonds13

About 1-dodecyl-2-(methoxymethyl)imidazole

1-dodecyl-2-(methoxymethyl)imidazole (PubChem CID 102458627) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-dodecyl-2-(methoxymethyl)imidazole.

Molecular Properties

Compound Name1-dodecyl-2-(methoxymethyl)imidazole
PubChem CID102458627
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-dodecyl-2-(methoxymethyl)imidazole
SMILESCCCCCCCCCCCCn1ccnc1COC
InChIInChI=1S/C17H32N2O/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-18-17(19)16-20-2/h13,15H,3-12,14,16H2,1-2H3
InChIKeyLBXCSPNTYBDTPD-UHFFFAOYSA-N
XLogP4.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-dodecyl-2-(methoxymethyl)imidazole 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

1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1,2-di(pentadecyl)imidazole
CID 69388452
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
2-(4-methoxybutoxymethyl)-1-[(9Z,12Z)-octadeca-9,12-dienyl]imidazole
CID 59202749
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
2-(chloromethyl)-1-pentylimidazole;hydrochloride
CID 22938760
1-(1-octylimidazol-2-yl)propan-2-amine
CID 63096350
1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-(methoxymethyl)imidazole?
The IUPAC name of 1-dodecyl-2-(methoxymethyl)imidazole (CID 102458627) is 1-dodecyl-2-(methoxymethyl)imidazole.
What is the SMILES notation for 1-dodecyl-2-(methoxymethyl)imidazole?
The canonical SMILES for 1-dodecyl-2-(methoxymethyl)imidazole is CCCCCCCCCCCCn1ccnc1COC.
What is the InChIKey of 1-dodecyl-2-(methoxymethyl)imidazole?
The InChIKey is LBXCSPNTYBDTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-18-17(19)16-20-2/h13,15H,3-12,14,16H2,1-2H3.
What are the key properties of 1-dodecyl-2-(methoxymethyl)imidazole?
1-dodecyl-2-(methoxymethyl)imidazole has a molecular weight of 280.46 g/mol, XLogP of 4.95, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-(methoxymethyl)imidazole is sourced from PubChem (CID 102458627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).