2-(4,5-dihydroimidazol-1-yl)nonan-1-ol

C12H24N2O — CID 174900137

IUPAC2-(4,5-dihydroimidazol-1-yl)nonan-1-ol
SMILESCCCCCCCC(CO)N1C=NCC1
InChIInChI=1S/C12H24N2O/c1-2-3-4-5-6-7-12(10-15)14-9-8-13-11-14/h11-12,15H,2-10H2,1H3
InChIKeyARTGXTNBHVMLPD-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.05
Rot. Bonds8

About 2-(4,5-dihydroimidazol-1-yl)nonan-1-ol

2-(4,5-dihydroimidazol-1-yl)nonan-1-ol (PubChem CID 174900137) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-1-yl)nonan-1-ol.

Molecular Properties

Compound Name2-(4,5-dihydroimidazol-1-yl)nonan-1-ol
PubChem CID174900137
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(4,5-dihydroimidazol-1-yl)nonan-1-ol
SMILESCCCCCCCC(CO)N1C=NCC1
InChIInChI=1S/C12H24N2O/c1-2-3-4-5-6-7-12(10-15)14-9-8-13-11-14/h11-12,15H,2-10H2,1H3
InChIKeyARTGXTNBHVMLPD-UHFFFAOYSA-N
XLogP2.05
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.05
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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Related Compounds

3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol
CID 175062034
3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol
CID 70378398
1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol
CID 57204526
3-(4,5-dihydroimidazol-1-yl)-N-ethyl-N-heptadecylicosan-1-amine
CID 70611322
3-(4,5-dihydroimidazol-1-yl)pentan-1-ol
CID 174892318
1-tricos-8-en-7-yl-4,5-dihydroimidazole
CID 69115156
1-(4,5-dihydroimidazol-1-yl)pentan-1-amine
CID 70539508
3-(4,5-dihydroimidazol-1-yl)-2-hexadecyl-6-methylhenicosanamide
CID 88648119
1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol
CID 57138001
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
(3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol
CID 151920870
azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole
CID 174771585

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroimidazol-1-yl)nonan-1-ol?
The IUPAC name of 2-(4,5-dihydroimidazol-1-yl)nonan-1-ol (CID 174900137) is 2-(4,5-dihydroimidazol-1-yl)nonan-1-ol.
What is the SMILES notation for 2-(4,5-dihydroimidazol-1-yl)nonan-1-ol?
The canonical SMILES for 2-(4,5-dihydroimidazol-1-yl)nonan-1-ol is CCCCCCCC(CO)N1C=NCC1.
What is the InChIKey of 2-(4,5-dihydroimidazol-1-yl)nonan-1-ol?
The InChIKey is ARTGXTNBHVMLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-3-4-5-6-7-12(10-15)14-9-8-13-11-14/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-(4,5-dihydroimidazol-1-yl)nonan-1-ol?
2-(4,5-dihydroimidazol-1-yl)nonan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazol-1-yl)nonan-1-ol is sourced from PubChem (CID 174900137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).