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

C18H36N2O — CID 70396072

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol
SMILESCCCCCCCCCCCCC(CCO)C1=NCCN1
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-16-21)18-19-14-15-20-18/h17,21H,2-16H2,1H3,(H,19,20)
InChIKeyFAVVXJFOVYAOGJ-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.30
Rot. Bonds14

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

3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol (PubChem CID 70396072) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol
PubChem CID70396072
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol
SMILESCCCCCCCCCCCCC(CCO)C1=NCCN1
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-16-21)18-19-14-15-20-18/h17,21H,2-16H2,1H3,(H,19,20)
InChIKeyFAVVXJFOVYAOGJ-UHFFFAOYSA-N
XLogP4.30
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.30
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)pentadecan-1-ol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol (CID 70396072) is 3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol is CCCCCCCCCCCCC(CCO)C1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol?
The InChIKey is FAVVXJFOVYAOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-16-21)18-19-14-15-20-18/h17,21H,2-16H2,1H3,(H,19,20).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol?
3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 4.30, 14 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)pentadecan-1-ol is sourced from PubChem (CID 70396072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).