1-decyl-4,5-dihydroimidazole

C13H26N2 — CID 19978950

IUPAC1-decyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCN1C=NCC1
InChIInChI=1S/C13H26N2/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15/h13H,2-12H2,1H3
InChIKeyRVPYRTGRGVYXSR-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.47
Rot. Bonds9

About 1-decyl-4,5-dihydroimidazole

1-decyl-4,5-dihydroimidazole (PubChem CID 19978950) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-decyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-decyl-4,5-dihydroimidazole
PubChem CID19978950
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-decyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCN1C=NCC1
InChIInChI=1S/C13H26N2/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15/h13H,2-12H2,1H3
InChIKeyRVPYRTGRGVYXSR-UHFFFAOYSA-N
XLogP3.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-decyl-4,5-dihydroimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4,5-dihydroimidazole?
The IUPAC name of 1-decyl-4,5-dihydroimidazole (CID 19978950) is 1-decyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-decyl-4,5-dihydroimidazole?
The canonical SMILES for 1-decyl-4,5-dihydroimidazole is CCCCCCCCCCN1C=NCC1.
What is the InChIKey of 1-decyl-4,5-dihydroimidazole?
The InChIKey is RVPYRTGRGVYXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15/h13H,2-12H2,1H3.
What are the key properties of 1-decyl-4,5-dihydroimidazole?
1-decyl-4,5-dihydroimidazole has a molecular weight of 210.36 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4,5-dihydroimidazole is sourced from PubChem (CID 19978950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).