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

C16H32N2O — CID 70395438

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol
SMILESCCCCCCCCCCC(CCO)C1=NCCN1
InChIInChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-15(11-14-19)16-17-12-13-18-16/h15,19H,2-14H2,1H3,(H,17,18)
InChIKeyYGJWIYKRBLITHJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.52
Rot. Bonds12

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

3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol (PubChem CID 70395438) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol
PubChem CID70395438
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol
SMILESCCCCCCCCCCC(CCO)C1=NCCN1
InChIInChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-15(11-14-19)16-17-12-13-18-16/h15,19H,2-14H2,1H3,(H,17,18)
InChIKeyYGJWIYKRBLITHJ-UHFFFAOYSA-N
XLogP3.52
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol (CID 70395438) is 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol is CCCCCCCCCCC(CCO)C1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol?
The InChIKey is YGJWIYKRBLITHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-15(11-14-19)16-17-12-13-18-16/h15,19H,2-14H2,1H3,(H,17,18).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol?
3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 3.52, 12 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)tridecan-1-ol is sourced from PubChem (CID 70395438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).