1-(8-methylsulfinyloctyl)imidazole

C12H22N2OS — CID 12870534

IUPAC1-(8-methylsulfinyloctyl)imidazole
SMILESCS(=O)CCCCCCCCn1ccnc1
InChIInChI=1S/C12H22N2OS/c1-16(15)11-7-5-3-2-4-6-9-14-10-8-13-12-14/h8,10,12H,2-7,9,11H2,1H3
InChIKeyLAJPERLEDLZRMI-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.60
Rot. Bonds9

About 1-(8-methylsulfinyloctyl)imidazole

1-(8-methylsulfinyloctyl)imidazole (PubChem CID 12870534) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(8-methylsulfinyloctyl)imidazole.

Molecular Properties

Compound Name1-(8-methylsulfinyloctyl)imidazole
PubChem CID12870534
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(8-methylsulfinyloctyl)imidazole
SMILESCS(=O)CCCCCCCCn1ccnc1
InChIInChI=1S/C12H22N2OS/c1-16(15)11-7-5-3-2-4-6-9-14-10-8-13-12-14/h8,10,12H,2-7,9,11H2,1H3
InChIKeyLAJPERLEDLZRMI-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
acetic acid;1-decylimidazole
CID 175546754
1-nonylimidazole;hydrobromide
CID 175434544
carbonic acid;1-dodecylimidazole
CID 175596781
1-[4-(benzenesulfinyl)butyl]imidazole
CID 58580469
7-imidazol-1-ylheptane-1-thiol
CID 156850258
1-(11,11-dimethyldodecyl)imidazole
CID 118887404
1-(7-methyloctyl)imidazole
CID 59001100
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
4-(3-imidazol-1-ylpropylsulfinyl)butan-2-amine
CID 81194475
1-(13-ethoxytridecyl)imidazole
CID 145255635

Frequently Asked Questions

What is the IUPAC name of 1-(8-methylsulfinyloctyl)imidazole?
The IUPAC name of 1-(8-methylsulfinyloctyl)imidazole (CID 12870534) is 1-(8-methylsulfinyloctyl)imidazole.
What is the SMILES notation for 1-(8-methylsulfinyloctyl)imidazole?
The canonical SMILES for 1-(8-methylsulfinyloctyl)imidazole is CS(=O)CCCCCCCCn1ccnc1.
What is the InChIKey of 1-(8-methylsulfinyloctyl)imidazole?
The InChIKey is LAJPERLEDLZRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-16(15)11-7-5-3-2-4-6-9-14-10-8-13-12-14/h8,10,12H,2-7,9,11H2,1H3.
What are the key properties of 1-(8-methylsulfinyloctyl)imidazole?
1-(8-methylsulfinyloctyl)imidazole has a molecular weight of 242.39 g/mol, XLogP of 2.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylsulfinyloctyl)imidazole is sourced from PubChem (CID 12870534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).