3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol

C12H24N2O — CID 138488024

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol
SMILESCCCCCCC(C1=NCCN1)C(C)O
InChIInChI=1S/C12H24N2O/c1-3-4-5-6-7-11(10(2)15)12-13-8-9-14-12/h10-11,15H,3-9H2,1-2H3,(H,13,14)
InChIKeyDDUMHOKYUKDOQI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.96
Rot. Bonds7

About 3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol

3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol (PubChem CID 138488024) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol
PubChem CID138488024
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol
SMILESCCCCCCC(C1=NCCN1)C(C)O
InChIInChI=1S/C12H24N2O/c1-3-4-5-6-7-11(10(2)15)12-13-8-9-14-12/h10-11,15H,3-9H2,1-2H3,(H,13,14)
InChIKeyDDUMHOKYUKDOQI-UHFFFAOYSA-N
XLogP1.96
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
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-dihydro-1H-imidazol-2-yl)nonan-2-ol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol (CID 138488024) is 3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol is CCCCCCC(C1=NCCN1)C(C)O.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol?
The InChIKey is DDUMHOKYUKDOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-5-6-7-11(10(2)15)12-13-8-9-14-12/h10-11,15H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol?
3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol has a molecular weight of 212.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)nonan-2-ol is sourced from PubChem (CID 138488024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).