2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole

C12H22N2OS — CID 23554283

IUPAC2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole
SMILESCC(C)COCCCSCCc1ncc[nH]1
InChIInChI=1S/C12H22N2OS/c1-11(2)10-15-7-3-8-16-9-4-12-13-5-6-14-12/h5-6,11H,3-4,7-10H2,1-2H3,(H,13,14)
InChIKeyYENIZDPHCJBQNP-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.75
Rot. Bonds9

About 2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole

2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole (PubChem CID 23554283) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole
PubChem CID23554283
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole
SMILESCC(C)COCCCSCCc1ncc[nH]1
InChIInChI=1S/C12H22N2OS/c1-11(2)10-15-7-3-8-16-9-4-12-13-5-6-14-12/h5-6,11H,3-4,7-10H2,1-2H3,(H,13,14)
InChIKeyYENIZDPHCJBQNP-UHFFFAOYSA-N
XLogP2.75
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole 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 2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole?
The IUPAC name of 2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole (CID 23554283) is 2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole is CC(C)COCCCSCCc1ncc[nH]1.
What is the InChIKey of 2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole?
The InChIKey is YENIZDPHCJBQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-11(2)10-15-7-3-8-16-9-4-12-13-5-6-14-12/h5-6,11H,3-4,7-10H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole?
2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole has a molecular weight of 242.39 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-methylpropoxy)propylsulfanyl]ethyl]-1H-imidazole is sourced from PubChem (CID 23554283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).