2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole

C11H20N2OS — CID 170167415

IUPAC2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole
SMILESCCC(OC)c1nccn1CCCSC
InChIInChI=1S/C11H20N2OS/c1-4-10(14-2)11-12-6-8-13(11)7-5-9-15-3/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyMFTQCVLBDDLCBR-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.73
Rot. Bonds7

About 2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole

2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole (PubChem CID 170167415) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole.

Molecular Properties

Compound Name2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole
PubChem CID170167415
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole
SMILESCCC(OC)c1nccn1CCCSC
InChIInChI=1S/C11H20N2OS/c1-4-10(14-2)11-12-6-8-13(11)7-5-9-15-3/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyMFTQCVLBDDLCBR-UHFFFAOYSA-N
XLogP2.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)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-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole?
The IUPAC name of 2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole (CID 170167415) is 2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole.
What is the SMILES notation for 2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole?
The canonical SMILES for 2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole is CCC(OC)c1nccn1CCCSC.
What is the InChIKey of 2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole?
The InChIKey is MFTQCVLBDDLCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-10(14-2)11-12-6-8-13(11)7-5-9-15-3/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole?
2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole has a molecular weight of 228.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole is sourced from PubChem (CID 170167415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).