1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole

C23H20N2O3S — CID 110532187

IUPAC1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole
SMILESCc1ccc(COc2ccccc2-c2nccn2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O3S/c1-18-11-13-19(14-12-18)17-28-22-10-6-5-9-21(22)23-24-15-16-25(23)29(26,27)20-7-3-2-4-8-20/h2-16H,17H2,1H3
InChIKeyLPKQKMOGDWIKOT-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.67
Rot. Bonds6

About 1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole

1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole (PubChem CID 110532187) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole
PubChem CID110532187
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole
SMILESCc1ccc(COc2ccccc2-c2nccn2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O3S/c1-18-11-13-19(14-12-18)17-28-22-10-6-5-9-21(22)23-24-15-16-25(23)29(26,27)20-7-3-2-4-8-20/h2-16H,17H2,1H3
InChIKeyLPKQKMOGDWIKOT-UHFFFAOYSA-N
XLogP4.67
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole
CID 110530000
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227
1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole
CID 110529999
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
CID 110537183
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
CID 110536342
1-(benzenesulfonyl)-2-[4-(3-phenylpropoxy)phenyl]imidazole
CID 110531347
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
1-(benzenesulfonyl)-2-(4-ethoxy-3-nitrophenyl)imidazole
CID 110534191
5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole
CID 75388829
1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one
CID 68510398

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole (CID 110532187) is 1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole is Cc1ccc(COc2ccccc2-c2nccn2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole?
The InChIKey is LPKQKMOGDWIKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-18-11-13-19(14-12-18)17-28-22-10-6-5-9-21(22)23-24-15-16-25(23)29(26,27)20-7-3-2-4-8-20/h2-16H,17H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole?
1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole has a molecular weight of 404.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole is sourced from PubChem (CID 110532187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).