3-imidazol-1-yldodecan-1-ol

C15H28N2O — CID 174685778

IUPAC3-imidazol-1-yldodecan-1-ol
SMILESCCCCCCCCCC(CCO)n1ccnc1
InChIInChI=1S/C15H28N2O/c1-2-3-4-5-6-7-8-9-15(10-13-18)17-12-11-16-14-17/h11-12,14-15,18H,2-10,13H2,1H3
InChIKeyREFXORGGUPAYCI-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.95
Rot. Bonds11

About 3-imidazol-1-yldodecan-1-ol

3-imidazol-1-yldodecan-1-ol (PubChem CID 174685778) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-imidazol-1-yldodecan-1-ol.

Molecular Properties

Compound Name3-imidazol-1-yldodecan-1-ol
PubChem CID174685778
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-imidazol-1-yldodecan-1-ol
SMILESCCCCCCCCCC(CCO)n1ccnc1
InChIInChI=1S/C15H28N2O/c1-2-3-4-5-6-7-8-9-15(10-13-18)17-12-11-16-14-17/h11-12,14-15,18H,2-10,13H2,1H3
InChIKeyREFXORGGUPAYCI-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-imidazol-1-yldodecan-1-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

1-docosan-5-ylimidazole
CID 135305816
1-octadecan-4-ylimidazole
CID 174516132
10-imidazol-1-yloctadecanoic acid
CID 86691655
1-heptan-3-ylimidazole;hydrobromide
CID 174803482
1-(1-phenyltridecan-3-yl)imidazole
CID 69387283
1-hexan-3-ylimidazole
CID 54145075
carbonic acid;1-nonan-2-ylimidazole
CID 175092771
2-imidazol-1-yltridecanoic acid
CID 69479791
3-imidazol-1-yl-N-propyloctanamide
CID 67900552
formic acid;1-octan-2-ylimidazole
CID 175596795
fluoromethane;1-heptan-2-ylimidazole
CID 174715360
1-[(2S)-1,5-dibutoxypentan-2-yl]imidazole
CID 101426270

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yldodecan-1-ol?
The IUPAC name of 3-imidazol-1-yldodecan-1-ol (CID 174685778) is 3-imidazol-1-yldodecan-1-ol.
What is the SMILES notation for 3-imidazol-1-yldodecan-1-ol?
The canonical SMILES for 3-imidazol-1-yldodecan-1-ol is CCCCCCCCCC(CCO)n1ccnc1.
What is the InChIKey of 3-imidazol-1-yldodecan-1-ol?
The InChIKey is REFXORGGUPAYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-3-4-5-6-7-8-9-15(10-13-18)17-12-11-16-14-17/h11-12,14-15,18H,2-10,13H2,1H3.
What are the key properties of 3-imidazol-1-yldodecan-1-ol?
3-imidazol-1-yldodecan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yldodecan-1-ol is sourced from PubChem (CID 174685778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).