3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol

C24H46N2O2 — CID 139677213

IUPAC3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol
SMILESCc1nccn1CC(O)C(C)(O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C24H46N2O2/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-24(6,28)23(27)18-26-17-16-25-22(26)5/h16-17,19-21,23,27-28H,7-15,18H2,1-6H3
InChIKeyIUMWQUGGQRALLJ-UHFFFAOYSA-N
MW394.64 g/mol
LogP5.74
Rot. Bonds15

About 3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol

3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol (PubChem CID 139677213) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol.

Molecular Properties

Compound Name3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol
PubChem CID139677213
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Name3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol
SMILESCc1nccn1CC(O)C(C)(O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C24H46N2O2/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-24(6,28)23(27)18-26-17-16-25-22(26)5/h16-17,19-21,23,27-28H,7-15,18H2,1-6H3
InChIKeyIUMWQUGGQRALLJ-UHFFFAOYSA-N
XLogP5.74
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 13331154
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3-{4-[(2-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}propane-1,2-diol
CID 74231267
(6S)-8-[3-(2-ethylimidazol-1-yl)propylamino]-2,6-dimethyloctan-2-ol
CID 92861407
1-Imidazol-1-yloctadecan-2-ol
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cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol
CID 155057396
1-Imidazol-1-yldodecan-2-ol
CID 317475
3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]tridecan-2-ol
CID 91217998
1-(1,2-Dihydroxypropyl)-3-hexadecylimidazolium bromide
CID 129850439
(2R)-1-(3-tetradecylimidazol-1-ium-1-yl)tetradecan-2-ol bromide
CID 139195061
(1-Propylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105098454
(1-Propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105098503

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol?
The IUPAC name of 3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol (CID 139677213) is 3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol.
What is the SMILES notation for 3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol?
The canonical SMILES for 3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol is Cc1nccn1CC(O)C(C)(O)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol?
The InChIKey is IUMWQUGGQRALLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-24(6,28)23(27)18-26-17-16-25-22(26)5/h16-17,19-21,23,27-28H,7-15,18H2,1-6H3.
What are the key properties of 3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol?
3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol has a molecular weight of 394.64 g/mol, XLogP of 5.74, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol is sourced from PubChem (CID 139677213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).