1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol

C19H36N2O3 — CID 139677219

IUPAC1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol
SMILESCC(C)CCCC(C)CCCC(C)(O)C(O)Cn1ccnc1CO
InChIInChI=1S/C19H36N2O3/c1-15(2)7-5-8-16(3)9-6-10-19(4,24)17(23)13-21-12-11-20-18(21)14-22/h11-12,15-17,22-24H,5-10,13-14H2,1-4H3
InChIKeyJWHXTAXRVKAGGM-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.12
Rot. Bonds12

About 1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol

1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol (PubChem CID 139677219) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol
PubChem CID139677219
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Name1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol
SMILESCC(C)CCCC(C)CCCC(C)(O)C(O)Cn1ccnc1CO
InChIInChI=1S/C19H36N2O3/c1-15(2)7-5-8-16(3)9-6-10-19(4,24)17(23)13-21-12-11-20-18(21)14-22/h11-12,15-17,22-24H,5-10,13-14H2,1-4H3
InChIKeyJWHXTAXRVKAGGM-UHFFFAOYSA-N
XLogP3.12
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
3-Methyl-1-(1-pentylimidazol-2-yl)butan-1-ol
CID 134858954
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
CID 22673124
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)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105098427

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol?
The IUPAC name of 1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol (CID 139677219) is 1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol.
What is the SMILES notation for 1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol?
The canonical SMILES for 1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol is CC(C)CCCC(C)CCCC(C)(O)C(O)Cn1ccnc1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol?
The InChIKey is JWHXTAXRVKAGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-15(2)7-5-8-16(3)9-6-10-19(4,24)17(23)13-21-12-11-20-18(21)14-22/h11-12,15-17,22-24H,5-10,13-14H2,1-4H3.
What are the key properties of 1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol?
1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol has a molecular weight of 340.51 g/mol, XLogP of 3.12, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol is sourced from PubChem (CID 139677219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).