1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole

C10H17ClN2O2S — CID 106720710

IUPAC1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole
SMILESCC(C)(C)S(=O)(=O)CCn1cnc(CCl)c1
InChIInChI=1S/C10H17ClN2O2S/c1-10(2,3)16(14,15)5-4-13-7-9(6-11)12-8-13/h7-8H,4-6H2,1-3H3
InChIKeyYCBLXISXJKUTGK-UHFFFAOYSA-N
MW264.78 g/mol
LogP1.84
Rot. Bonds4

About 1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole

1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole (PubChem CID 106720710) has the molecular formula C10H17ClN2O2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole
PubChem CID106720710
Molecular FormulaC10H17ClN2O2S
Molecular Weight264.78 g/mol
Exact Mass264.07
IUPAC Name1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole
SMILESCC(C)(C)S(=O)(=O)CCn1cnc(CCl)c1
InChIInChI=1S/C10H17ClN2O2S/c1-10(2,3)16(14,15)5-4-13-7-9(6-11)12-8-13/h7-8H,4-6H2,1-3H3
InChIKeyYCBLXISXJKUTGK-UHFFFAOYSA-N
XLogP1.84
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole (CID 106720710) is 1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole is CC(C)(C)S(=O)(=O)CCn1cnc(CCl)c1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole?
The InChIKey is YCBLXISXJKUTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S/c1-10(2,3)16(14,15)5-4-13-7-9(6-11)12-8-13/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole?
1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole has a molecular weight of 264.78 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole is sourced from PubChem (CID 106720710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).