12-(1H-imidazol-2-yl)dodecan-1-ol

C15H28N2O — CID 25269122

IUPAC12-(1H-imidazol-2-yl)dodecan-1-ol
SMILESOCCCCCCCCCCCCc1ncc[nH]1
InChIInChI=1S/C15H28N2O/c18-14-10-8-6-4-2-1-3-5-7-9-11-15-16-12-13-17-15/h12-13,18H,1-11,14H2,(H,16,17)
InChIKeyDOKOVZHOVUEIBQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.85
Rot. Bonds12

About 12-(1H-imidazol-2-yl)dodecan-1-ol

12-(1H-imidazol-2-yl)dodecan-1-ol (PubChem CID 25269122) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 12-(1H-imidazol-2-yl)dodecan-1-ol.

Molecular Properties

Compound Name12-(1H-imidazol-2-yl)dodecan-1-ol
PubChem CID25269122
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name12-(1H-imidazol-2-yl)dodecan-1-ol
SMILESOCCCCCCCCCCCCc1ncc[nH]1
InChIInChI=1S/C15H28N2O/c18-14-10-8-6-4-2-1-3-5-7-9-11-15-16-12-13-17-15/h12-13,18H,1-11,14H2,(H,16,17)
InChIKeyDOKOVZHOVUEIBQ-UHFFFAOYSA-N
XLogP3.85
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of 12-(1H-imidazol-2-yl)dodecan-1-ol?
The IUPAC name of 12-(1H-imidazol-2-yl)dodecan-1-ol (CID 25269122) is 12-(1H-imidazol-2-yl)dodecan-1-ol.
What is the SMILES notation for 12-(1H-imidazol-2-yl)dodecan-1-ol?
The canonical SMILES for 12-(1H-imidazol-2-yl)dodecan-1-ol is OCCCCCCCCCCCCc1ncc[nH]1.
What is the InChIKey of 12-(1H-imidazol-2-yl)dodecan-1-ol?
The InChIKey is DOKOVZHOVUEIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c18-14-10-8-6-4-2-1-3-5-7-9-11-15-16-12-13-17-15/h12-13,18H,1-11,14H2,(H,16,17).
What are the key properties of 12-(1H-imidazol-2-yl)dodecan-1-ol?
12-(1H-imidazol-2-yl)dodecan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 3.85, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1H-imidazol-2-yl)dodecan-1-ol is sourced from PubChem (CID 25269122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).