3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol

C16H32N2O2 — CID 175062034

IUPAC3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol
SMILESCCCCCCCCCCC(CC(O)O)N1C=NCC1
InChIInChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-8-9-10-15(13-16(19)20)18-12-11-17-14-18/h14-16,19-20H,2-13H2,1H3
InChIKeyVZFJMXXBOQZEMT-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.93
Rot. Bonds12

About 3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol

3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol (PubChem CID 175062034) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol
PubChem CID175062034
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol
SMILESCCCCCCCCCCC(CC(O)O)N1C=NCC1
InChIInChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-8-9-10-15(13-16(19)20)18-12-11-17-14-18/h14-16,19-20H,2-13H2,1H3
InChIKeyVZFJMXXBOQZEMT-UHFFFAOYSA-N
XLogP2.93
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 174900137
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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
1-tricos-8-en-7-yl-4,5-dihydroimidazole
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3-(4,5-dihydroimidazol-1-yl)pentan-1-ol
CID 174892318
1-(4,5-dihydroimidazol-1-yl)pentan-1-amine
CID 70539508
1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol
CID 57138001
3-(4,5-dihydroimidazol-1-yl)-2-hexadecyl-6-methylhenicosanamide
CID 88648119
azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole
CID 174771585
3-[2-(4,5-dihydroimidazol-1-yl)-1-hydroxyethyl]icosanoic acid
CID 57184501
1-icos-5-en-4-yl-4,5-dihydroimidazole;prop-2-enoic acid
CID 69115000

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol (CID 175062034) is 3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol is CCCCCCCCCCC(CC(O)O)N1C=NCC1.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol?
The InChIKey is VZFJMXXBOQZEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-8-9-10-15(13-16(19)20)18-12-11-17-14-18/h14-16,19-20H,2-13H2,1H3.
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol?
3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol has a molecular weight of 284.44 g/mol, XLogP of 2.93, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol is sourced from PubChem (CID 175062034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).