2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol

C27H54N2O — CID 67140517

IUPAC2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C)(O)N1C=NCC1
InChIInChI=1S/C27H54N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(2,30)29-25-24-28-26-29/h26,30H,3-25H2,1-2H3
InChIKeyKLJNDIIJJFGGHK-UHFFFAOYSA-N
MW422.74 g/mol
LogP8.25
Rot. Bonds22

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

2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol (PubChem CID 67140517) has the molecular formula C27H54N2O and a molecular weight of 422.74 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol.

Molecular Properties

Compound Name2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol
PubChem CID67140517
Molecular FormulaC27H54N2O
Molecular Weight422.74 g/mol
Exact Mass422.42
IUPAC Name2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C)(O)N1C=NCC1
InChIInChI=1S/C27H54N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(2,30)29-25-24-28-26-29/h26,30H,3-25H2,1-2H3
InChIKeyKLJNDIIJJFGGHK-UHFFFAOYSA-N
XLogP8.25
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol
CID 70259581
2-[1-(4,5-dihydroimidazol-1-yl)-1-hydroxyethyl]tridecanoic acid
CID 170169246
3-benzyl-3-(4,5-dihydroimidazol-1-yl)icosan-1-ol
CID 57110470
3-benzyl-3-(4,5-dihydroimidazol-1-yl)icosan-1-ol;hydrochloride
CID 173004989
azane;1-hexadecyl-4,5-dihydroimidazole
CID 174750649
sodium 1-dodecyl-4,5-dihydroimidazole
CID 172834119
azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
2-imidazol-1-yltridecan-2-ol
CID 87316839
13-methylheptacosan-13-ol
CID 87343529
2-methyldodecan-2-ol
CID 547702
2-(4,5-dihydroimidazol-1-yl)nonan-1-ol
CID 174900137

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol?
The IUPAC name of 2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol (CID 67140517) is 2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol.
What is the SMILES notation for 2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol?
The canonical SMILES for 2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol is CCCCCCCCCCCCCCCCCCCCCCC(C)(O)N1C=NCC1.
What is the InChIKey of 2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol?
The InChIKey is KLJNDIIJJFGGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(2,30)29-25-24-28-26-29/h26,30H,3-25H2,1-2H3.
What are the key properties of 2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol?
2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol has a molecular weight of 422.74 g/mol, XLogP of 8.25, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol is sourced from PubChem (CID 67140517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).