5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole

C9H16N2OS — CID 71917691

IUPAC5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole
SMILESCCc1cnc(SCCCOC)[nH]1
InChIInChI=1S/C9H16N2OS/c1-3-8-7-10-9(11-8)13-6-4-5-12-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyWEXRWROKHSDYKY-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.10
Rot. Bonds6

About 5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole

5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole (PubChem CID 71917691) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole.

Molecular Properties

Compound Name5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole
PubChem CID71917691
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole
SMILESCCc1cnc(SCCCOC)[nH]1
InChIInChI=1S/C9H16N2OS/c1-3-8-7-10-9(11-8)13-6-4-5-12-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyWEXRWROKHSDYKY-UHFFFAOYSA-N
XLogP2.10
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-2-(3-methoxypropylsulfanyl)-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 5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole?
The IUPAC name of 5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole (CID 71917691) is 5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole.
What is the SMILES notation for 5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole?
The canonical SMILES for 5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole is CCc1cnc(SCCCOC)[nH]1.
What is the InChIKey of 5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole?
The InChIKey is WEXRWROKHSDYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-8-7-10-9(11-8)13-6-4-5-12-2/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole?
5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole has a molecular weight of 200.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole is sourced from PubChem (CID 71917691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).