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

C22H44N2O — CID 57204526

IUPAC1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCCC(O)N1C=NCC1
InChIInChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-20-19-23-21-24/h21-22,25H,2-20H2,1H3
InChIKeyPCPLJWFVPRZQTJ-UHFFFAOYSA-N
MW352.61 g/mol
LogP6.30
Rot. Bonds18

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

1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol (PubChem CID 57204526) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol
PubChem CID57204526
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC Name1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCCC(O)N1C=NCC1
InChIInChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-20-19-23-21-24/h21-22,25H,2-20H2,1H3
InChIKeyPCPLJWFVPRZQTJ-UHFFFAOYSA-N
XLogP6.30
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 56.30
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

3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol
CID 70378398
3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol
CID 175062034
2-(4,5-dihydroimidazol-1-yl)nonan-1-ol
CID 174900137
1-tricos-8-en-7-yl-4,5-dihydroimidazole
CID 69115156
1-(4,5-dihydroimidazol-1-yl)pentan-1-amine
CID 70539508
3-(4,5-dihydroimidazol-1-yl)-N-ethyl-N-heptadecylicosan-1-amine
CID 70611322
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
1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol
CID 174888445
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 1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol (CID 57204526) is 1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol is CCCCCCCCCCCCCCCCCCC(O)N1C=NCC1.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol?
The InChIKey is PCPLJWFVPRZQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-20-19-23-21-24/h21-22,25H,2-20H2,1H3.
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol?
1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol has a molecular weight of 352.61 g/mol, XLogP of 6.30, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol is sourced from PubChem (CID 57204526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).