3-(4,5-dihydroimidazol-1-yl)decan-1-ol

C13H26N2O — CID 139345103

IUPAC3-(4,5-dihydroimidazol-1-yl)decan-1-ol
SMILESCCCCCCCC(CCO)N1C=NCC1
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-7-13(8-11-16)15-10-9-14-12-15/h12-13,16H,2-11H2,1H3
InChIKeyTYNKCGUFOCKHAR-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.44
Rot. Bonds9

About 3-(4,5-dihydroimidazol-1-yl)decan-1-ol

3-(4,5-dihydroimidazol-1-yl)decan-1-ol (PubChem CID 139345103) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)decan-1-ol.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)decan-1-ol
PubChem CID139345103
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(4,5-dihydroimidazol-1-yl)decan-1-ol
SMILESCCCCCCCC(CCO)N1C=NCC1
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-7-13(8-11-16)15-10-9-14-12-15/h12-13,16H,2-11H2,1H3
InChIKeyTYNKCGUFOCKHAR-UHFFFAOYSA-N
XLogP2.44
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(4,5-dihydroimidazol-1-yl)decan-1-ol?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)decan-1-ol (CID 139345103) is 3-(4,5-dihydroimidazol-1-yl)decan-1-ol.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)decan-1-ol?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)decan-1-ol is CCCCCCCC(CCO)N1C=NCC1.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)decan-1-ol?
The InChIKey is TYNKCGUFOCKHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-4-5-6-7-13(8-11-16)15-10-9-14-12-15/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)decan-1-ol?
3-(4,5-dihydroimidazol-1-yl)decan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)decan-1-ol is sourced from PubChem (CID 139345103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).