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

C16H30N2O — CID 12991378

IUPAC1-(1H-imidazol-2-yl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)c1ncc[nH]1
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-9-10-11-12-15(19)16-17-13-14-18-16/h13-15,19H,2-12H2,1H3,(H,17,18)
InChIKeyXOEPPIULCDOMLW-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.75
Rot. Bonds12

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

1-(1H-imidazol-2-yl)tridecan-1-ol (PubChem CID 12991378) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)tridecan-1-ol.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)tridecan-1-ol
PubChem CID12991378
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(1H-imidazol-2-yl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)c1ncc[nH]1
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-9-10-11-12-15(19)16-17-13-14-18-16/h13-15,19H,2-12H2,1H3,(H,17,18)
InChIKeyXOEPPIULCDOMLW-UHFFFAOYSA-N
XLogP4.75
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.75
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

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CID 42604253
(Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol
CID 42604660
(1H-imidazol-2-yl)(piperidin-4-yl)methanol
CID 75488621
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)propan-2-ol
CID 22055139
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

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)tridecan-1-ol?
The IUPAC name of 1-(1H-imidazol-2-yl)tridecan-1-ol (CID 12991378) is 1-(1H-imidazol-2-yl)tridecan-1-ol.
What is the SMILES notation for 1-(1H-imidazol-2-yl)tridecan-1-ol?
The canonical SMILES for 1-(1H-imidazol-2-yl)tridecan-1-ol is CCCCCCCCCCCCC(O)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)tridecan-1-ol?
The InChIKey is XOEPPIULCDOMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-9-10-11-12-15(19)16-17-13-14-18-16/h13-15,19H,2-12H2,1H3,(H,17,18).
What are the key properties of 1-(1H-imidazol-2-yl)tridecan-1-ol?
1-(1H-imidazol-2-yl)tridecan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 4.75, 12 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)tridecan-1-ol is sourced from PubChem (CID 12991378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).