1-(11,11-dimethyldodecyl)imidazole

C17H32N2 — CID 118887404

IUPAC1-(11,11-dimethyldodecyl)imidazole
SMILESCC(C)(C)CCCCCCCCCCn1ccnc1
InChIInChI=1S/C17H32N2/c1-17(2,3)12-10-8-6-4-5-7-9-11-14-19-15-13-18-16-19/h13,15-16H,4-12,14H2,1-3H3
InChIKeyGZHSOQNGSPHXPA-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.44
Rot. Bonds10

About 1-(11,11-dimethyldodecyl)imidazole

1-(11,11-dimethyldodecyl)imidazole (PubChem CID 118887404) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(11,11-dimethyldodecyl)imidazole.

Molecular Properties

Compound Name1-(11,11-dimethyldodecyl)imidazole
PubChem CID118887404
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(11,11-dimethyldodecyl)imidazole
SMILESCC(C)(C)CCCCCCCCCCn1ccnc1
InChIInChI=1S/C17H32N2/c1-17(2,3)12-10-8-6-4-5-7-9-11-14-19-15-13-18-16-19/h13,15-16H,4-12,14H2,1-3H3
InChIKeyGZHSOQNGSPHXPA-UHFFFAOYSA-N
XLogP5.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
CID 126578367
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-(13,13,13-trimethoxytridecyl)imidazole
CID 151189637
1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole
CID 118887732
1-nonylimidazole;hydrobromide
CID 175434544
1-(9,9-dimethyldec-7-ynyl)imidazole
CID 18921940
8-imidazol-1-yl-4,4-dimethyloctanoic acid;hydrochloride
CID 12870498
7-imidazol-1-ylheptane-1-thiol
CID 156850258
1-(7-methyloctyl)imidazole
CID 59001100
1-[3-(2,2-dimethylpropoxy)propyl]imidazole
CID 166921523
N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine
CID 146436404
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148

Frequently Asked Questions

What is the IUPAC name of 1-(11,11-dimethyldodecyl)imidazole?
The IUPAC name of 1-(11,11-dimethyldodecyl)imidazole (CID 118887404) is 1-(11,11-dimethyldodecyl)imidazole.
What is the SMILES notation for 1-(11,11-dimethyldodecyl)imidazole?
The canonical SMILES for 1-(11,11-dimethyldodecyl)imidazole is CC(C)(C)CCCCCCCCCCn1ccnc1.
What is the InChIKey of 1-(11,11-dimethyldodecyl)imidazole?
The InChIKey is GZHSOQNGSPHXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-17(2,3)12-10-8-6-4-5-7-9-11-14-19-15-13-18-16-19/h13,15-16H,4-12,14H2,1-3H3.
What are the key properties of 1-(11,11-dimethyldodecyl)imidazole?
1-(11,11-dimethyldodecyl)imidazole has a molecular weight of 264.46 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11,11-dimethyldodecyl)imidazole is sourced from PubChem (CID 118887404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).