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

C21H38N2O — CID 573716

IUPAC1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol
SMILESCCCCCCCCCCCCCCC1CCC1(O)c1ncc[nH]1
InChIInChI=1S/C21H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16-21(19,24)20-22-17-18-23-20/h17-19,24H,2-16H2,1H3,(H,22,23)
InChIKeyWMZSNZVUPXFKQG-UHFFFAOYSA-N
MW334.55 g/mol
LogP6.10
Rot. Bonds14

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

1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol (PubChem CID 573716) has the molecular formula C21H38N2O and a molecular weight of 334.55 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol
PubChem CID573716
Molecular FormulaC21H38N2O
Molecular Weight334.55 g/mol
Exact Mass334.30
IUPAC Name1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol
SMILESCCCCCCCCCCCCCCC1CCC1(O)c1ncc[nH]1
InChIInChI=1S/C21H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16-21(19,24)20-22-17-18-23-20/h17-19,24H,2-16H2,1H3,(H,22,23)
InChIKeyWMZSNZVUPXFKQG-UHFFFAOYSA-N
XLogP6.10
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 56.10
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)cyclobutan-1-ol
CID 132368656
(6S)-8-[3-(2-ethylimidazol-1-yl)propylamino]-2,6-dimethyloctan-2-ol
CID 92861407
(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 164635126
3-(1H-imidazol-2-yl)pentan-3-ol
CID 45120624
3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]tridecan-2-ol
CID 91217998
1H-Imidazole-2-methanol, alpha-heptadecyl-
CID 566962
alpha-Heptadecyl-alpha-(tetrahydro-2-furanyl)-1H-imidazole-2-methanol
CID 630646
7-(1H-Imidazol-2-yl)bicyclo[4.2.0]octan-7-ol
CID 12463022
1-(1H-imidazol-2-yl)tridecan-1-ol
CID 12991378
3-cyclohexyl-1-(1H-imidazol-2-yl)propan-1-ol
CID 17913114
4-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol
CID 18695365
2-(1H-imidazol-2-yl)cycloheptan-1-ol
CID 19908898

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol?
The IUPAC name of 1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol (CID 573716) is 1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol?
The canonical SMILES for 1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol is CCCCCCCCCCCCCCC1CCC1(O)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol?
The InChIKey is WMZSNZVUPXFKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16-21(19,24)20-22-17-18-23-20/h17-19,24H,2-16H2,1H3,(H,22,23).
What are the key properties of 1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol?
1-(1H-imidazol-2-yl)-2-tetradecylcyclobutan-1-ol has a molecular weight of 334.55 g/mol, XLogP of 6.10, 14 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)-2-tetradecylcyclobutan-1-ol is sourced from PubChem (CID 573716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).