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

C22H44N2O — CID 70395898

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol
SMILESCCCCCCCCCCCCCCCCC(CCO)C1=NCCN1
InChIInChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-20-25)22-23-18-19-24-22/h21,25H,2-20H2,1H3,(H,23,24)
InChIKeyQUBWCNCOWJZMAJ-UHFFFAOYSA-N
MW352.61 g/mol
LogP5.86
Rot. Bonds18

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

3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol (PubChem CID 70395898) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol
PubChem CID70395898
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol
SMILESCCCCCCCCCCCCCCCCC(CCO)C1=NCCN1
InChIInChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-20-25)22-23-18-19-24-22/h21,25H,2-20H2,1H3,(H,23,24)
InChIKeyQUBWCNCOWJZMAJ-UHFFFAOYSA-N
XLogP5.86
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 55.86
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)nonadecan-1-ol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol (CID 70395898) is 3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol is CCCCCCCCCCCCCCCCC(CCO)C1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol?
The InChIKey is QUBWCNCOWJZMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-20-25)22-23-18-19-24-22/h21,25H,2-20H2,1H3,(H,23,24).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol?
3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol has a molecular weight of 352.61 g/mol, XLogP of 5.86, 18 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)nonadecan-1-ol is sourced from PubChem (CID 70395898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).