2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole

C10H11ClN2O2S — CID 175353696

IUPAC2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole
SMILESCS(=O)(=O)c1cccc(N2C=CNC2Cl)c1
InChIInChI=1S/C10H11ClN2O2S/c1-16(14,15)9-4-2-3-8(7-9)13-6-5-12-10(13)11/h2-7,10,12H,1H3
InChIKeyYHLLUWRQRASYHG-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.49
Rot. Bonds2

About 2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole

2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole (PubChem CID 175353696) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole
PubChem CID175353696
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole
SMILESCS(=O)(=O)c1cccc(N2C=CNC2Cl)c1
InChIInChI=1S/C10H11ClN2O2S/c1-16(14,15)9-4-2-3-8(7-9)13-6-5-12-10(13)11/h2-7,10,12H,1H3
InChIKeyYHLLUWRQRASYHG-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole?
The IUPAC name of 2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole (CID 175353696) is 2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole.
What is the SMILES notation for 2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole?
The canonical SMILES for 2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole is CS(=O)(=O)c1cccc(N2C=CNC2Cl)c1.
What is the InChIKey of 2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole?
The InChIKey is YHLLUWRQRASYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-16(14,15)9-4-2-3-8(7-9)13-6-5-12-10(13)11/h2-7,10,12H,1H3.
What are the key properties of 2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole?
2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole has a molecular weight of 258.73 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole is sourced from PubChem (CID 175353696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).