1-(dodecoxymethyl)imidazole

C16H30N2O — CID 102264585

IUPAC1-(dodecoxymethyl)imidazole
SMILESCCCCCCCCCCCCOCn1ccnc1
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-9-10-11-14-19-16-18-13-12-17-15-18/h12-13,15H,2-11,14,16H2,1H3
InChIKeyLKLULHNQWGMQLA-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.78
Rot. Bonds13

About 1-(dodecoxymethyl)imidazole

1-(dodecoxymethyl)imidazole (PubChem CID 102264585) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(dodecoxymethyl)imidazole.

Molecular Properties

Compound Name1-(dodecoxymethyl)imidazole
PubChem CID102264585
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(dodecoxymethyl)imidazole
SMILESCCCCCCCCCCCCOCn1ccnc1
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-9-10-11-14-19-16-18-13-12-17-15-18/h12-13,15H,2-11,14,16H2,1H3
InChIKeyLKLULHNQWGMQLA-UHFFFAOYSA-N
XLogP4.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2r)-N,N-Dimethyl-4-(1-Methylimidazol-2-Yl)oxy-Butan-2-Amine
CID 70701321
1H-Imidazolium, 2-((hydroxyimino)methyl)-1-methyl-3-((octyloxy)methyl)-, chloride
CID 135705487
1-Butyl-3-methylimidazolium octyl sulfate
CID 12095226
1H-Imidazolium, 1-((cyclododecyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
CID 135705413
1H-Imidazolium, 1-((cyclooctyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
CID 135705423
1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride
CID 43638
Agn-PC-0nhxtt
CID 12149457
1-Methyl-3-octylimidazolium octylsulfate
CID 46226172
1-(methoxymethyl)-2-(tributylstannyl)-1H-imidazole
CID 20825696
2-Hex-5-enoxy-1-methylimidazole
CID 76324568
(NE)-N-[[1-(cycloheptyloxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine chloride
CID 136206729
(NE)-N-[[1-(hexoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine chloride
CID 136206730

Frequently Asked Questions

What is the IUPAC name of 1-(dodecoxymethyl)imidazole?
The IUPAC name of 1-(dodecoxymethyl)imidazole (CID 102264585) is 1-(dodecoxymethyl)imidazole.
What is the SMILES notation for 1-(dodecoxymethyl)imidazole?
The canonical SMILES for 1-(dodecoxymethyl)imidazole is CCCCCCCCCCCCOCn1ccnc1.
What is the InChIKey of 1-(dodecoxymethyl)imidazole?
The InChIKey is LKLULHNQWGMQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-9-10-11-14-19-16-18-13-12-17-15-18/h12-13,15H,2-11,14,16H2,1H3.
What are the key properties of 1-(dodecoxymethyl)imidazole?
1-(dodecoxymethyl)imidazole has a molecular weight of 266.43 g/mol, XLogP of 4.78, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dodecoxymethyl)imidazole is sourced from PubChem (CID 102264585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).