1-(1H-imidazol-2-yl)octadecan-1-ol

C21H40N2O — CID 566962

IUPAC1-(1H-imidazol-2-yl)octadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCC(O)c1ncc[nH]1
InChIInChI=1S/C21H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)21-22-18-19-23-21/h18-20,24H,2-17H2,1H3,(H,22,23)
InChIKeyLVAKVTKVFXBYJC-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.70
Rot. Bonds17

About 1-(1H-imidazol-2-yl)octadecan-1-ol

1-(1H-imidazol-2-yl)octadecan-1-ol (PubChem CID 566962) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)octadecan-1-ol.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)octadecan-1-ol
PubChem CID566962
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name1-(1H-imidazol-2-yl)octadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCC(O)c1ncc[nH]1
InChIInChI=1S/C21H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)21-22-18-19-23-21/h18-20,24H,2-17H2,1H3,(H,22,23)
InChIKeyLVAKVTKVFXBYJC-UHFFFAOYSA-N
XLogP6.70
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-2-yl)ethan-1-ol
CID 15055958
12-Imidazolyl-1-dodecanol
CID 25269122
(Z,8R)-1-(1H-imidazol-2-yl)heptadec-11-en-8-ol
CID 42604253
(Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol
CID 42604660
1-(1H-imidazol-2-yl)propan-1-ol
CID 17913133
1-(1H-imidazol-2-yl)-2-methylpropan-1-ol hydrochloride
CID 155970578
1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol
CID 3008074
1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol
CID 45091832
cyclopropyl(1H-imidazol-2-yl)methanol
CID 80283564
1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol hydrochloride
CID 155971072
Tetrahydroxybutylimidazole
CID 129829215
trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol
CID 119039399

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)octadecan-1-ol?
The IUPAC name of 1-(1H-imidazol-2-yl)octadecan-1-ol (CID 566962) is 1-(1H-imidazol-2-yl)octadecan-1-ol.
What is the SMILES notation for 1-(1H-imidazol-2-yl)octadecan-1-ol?
The canonical SMILES for 1-(1H-imidazol-2-yl)octadecan-1-ol is CCCCCCCCCCCCCCCCCC(O)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)octadecan-1-ol?
The InChIKey is LVAKVTKVFXBYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)21-22-18-19-23-21/h18-20,24H,2-17H2,1H3,(H,22,23).
What are the key properties of 1-(1H-imidazol-2-yl)octadecan-1-ol?
1-(1H-imidazol-2-yl)octadecan-1-ol has a molecular weight of 336.56 g/mol, XLogP of 6.70, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)octadecan-1-ol is sourced from PubChem (CID 566962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).