1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole

C19H18Cl2N2O3S — CID 110531048

IUPAC1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole
SMILESCC(C)COc1c(Cl)cc(-c2nccn2S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C19H18Cl2N2O3S/c1-13(2)12-26-18-16(20)10-14(11-17(18)21)19-22-8-9-23(19)27(24,25)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeyWNRJKCCXWPEQNG-UHFFFAOYSA-N
MW425.34 g/mol
LogP5.13
Rot. Bonds6

About 1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole

1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole (PubChem CID 110531048) has the molecular formula C19H18Cl2N2O3S and a molecular weight of 425.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole
PubChem CID110531048
Molecular FormulaC19H18Cl2N2O3S
Molecular Weight425.34 g/mol
Exact Mass424.04
IUPAC Name1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole
SMILESCC(C)COc1c(Cl)cc(-c2nccn2S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C19H18Cl2N2O3S/c1-13(2)12-26-18-16(20)10-14(11-17(18)21)19-22-8-9-23(19)27(24,25)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeyWNRJKCCXWPEQNG-UHFFFAOYSA-N
XLogP5.13
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.34
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110532647
1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
CID 110536342
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole
CID 110535930
1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
CID 110537183
1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
CID 110534917
2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole
CID 110536202
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
1-(benzenesulfonyl)-2-(4-ethoxy-3-nitrophenyl)imidazole
CID 110534191
3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole
CID 110535784
1-(benzenesulfonyl)-2-[4-(3-phenylpropoxy)phenyl]imidazole
CID 110531347

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole (CID 110531048) is 1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole is CC(C)COc1c(Cl)cc(-c2nccn2S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole?
The InChIKey is WNRJKCCXWPEQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3S/c1-13(2)12-26-18-16(20)10-14(11-17(18)21)19-22-8-9-23(19)27(24,25)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole?
1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole has a molecular weight of 425.34 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole is sourced from PubChem (CID 110531048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).