1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole

C14H18N2OS — CID 75433232

IUPAC1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole
SMILESCCCc1nccn1CCS(=O)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-2-6-14-15-9-10-16(14)11-12-18(17)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3
InChIKeyXZEAUXILHVKHGR-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.64
Rot. Bonds6

About 1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole

1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole (PubChem CID 75433232) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole.

Molecular Properties

Compound Name1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole
PubChem CID75433232
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole
SMILESCCCc1nccn1CCS(=O)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-2-6-14-15-9-10-16(14)11-12-18(17)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3
InChIKeyXZEAUXILHVKHGR-UHFFFAOYSA-N
XLogP2.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole?
The IUPAC name of 1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole (CID 75433232) is 1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole.
What is the SMILES notation for 1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole?
The canonical SMILES for 1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole is CCCc1nccn1CCS(=O)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole?
The InChIKey is XZEAUXILHVKHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-6-14-15-9-10-16(14)11-12-18(17)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3.
What are the key properties of 1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole?
1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole has a molecular weight of 262.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole is sourced from PubChem (CID 75433232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).