3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol

C22H44N2O — CID 70378398

IUPAC3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol
SMILESCCCCCCCCCCCCCCCCC(C(C)O)N1C=NCC1
InChIInChI=1S/C22H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(21(2)25)24-19-18-23-20-24/h20-22,25H,3-19H2,1-2H3
InChIKeyKJWYZKXUIGAXCY-UHFFFAOYSA-N
MW352.61 g/mol
LogP5.95
Rot. Bonds17

About 3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol

3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol (PubChem CID 70378398) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol
PubChem CID70378398
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC Name3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol
SMILESCCCCCCCCCCCCCCCCC(C(C)O)N1C=NCC1
InChIInChI=1S/C22H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(21(2)25)24-19-18-23-20-24/h20-22,25H,3-19H2,1-2H3
InChIKeyKJWYZKXUIGAXCY-UHFFFAOYSA-N
XLogP5.95
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 55.95
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

1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol
CID 57204526
3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol
CID 175062034
2-(4,5-dihydroimidazol-1-yl)nonan-1-ol
CID 174900137
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
3-(4,5-dihydroimidazol-1-yl)-N-ethyl-N-heptadecylicosan-1-amine
CID 70611322
(2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol
CID 10036067
1-tricos-8-en-7-yl-4,5-dihydroimidazole
CID 69115156
1-(4,5-dihydroimidazol-1-yl)pentan-1-amine
CID 70539508
azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole
CID 174771585
(Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride
CID 173221987
3-[2-(4,5-dihydroimidazol-1-yl)-1-hydroxyethyl]icosanoic acid
CID 57184501

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol (CID 70378398) is 3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol is CCCCCCCCCCCCCCCCC(C(C)O)N1C=NCC1.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol?
The InChIKey is KJWYZKXUIGAXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(21(2)25)24-19-18-23-20-24/h20-22,25H,3-19H2,1-2H3.
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol?
3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol has a molecular weight of 352.61 g/mol, XLogP of 5.95, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol is sourced from PubChem (CID 70378398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).