1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole

C25H24N2O4S — CID 110529999

IUPAC1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole
SMILESCOc1cc(-c2nccn2S(=O)(=O)c2ccccc2)ccc1OCc1cc(C)ccc1C
InChIInChI=1S/C25H24N2O4S/c1-18-9-10-19(2)21(15-18)17-31-23-12-11-20(16-24(23)30-3)25-26-13-14-27(25)32(28,29)22-7-5-4-6-8-22/h4-16H,17H2,1-3H3
InChIKeyWYERSHPGPGARMS-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.99
Rot. Bonds7

About 1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole

1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole (PubChem CID 110529999) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole
PubChem CID110529999
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole
SMILESCOc1cc(-c2nccn2S(=O)(=O)c2ccccc2)ccc1OCc1cc(C)ccc1C
InChIInChI=1S/C25H24N2O4S/c1-18-9-10-19(2)21(15-18)17-31-23-12-11-20(16-24(23)30-3)25-26-13-14-27(25)32(28,29)22-7-5-4-6-8-22/h4-16H,17H2,1-3H3
InChIKeyWYERSHPGPGARMS-UHFFFAOYSA-N
XLogP4.99
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole
CID 110532187
2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole
CID 110530000
1-(benzenesulfonyl)-2-(4-ethoxy-3-nitrophenyl)imidazole
CID 110534191
2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110532647
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole
CID 4048187
1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
CID 110537183
1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
CID 110534917
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224663
2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol
CID 136781757
dimethyl 4-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232537
1-(benzenesulfonyl)-2-[4-(3-phenylpropoxy)phenyl]imidazole
CID 110531347

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole (CID 110529999) is 1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole is COc1cc(-c2nccn2S(=O)(=O)c2ccccc2)ccc1OCc1cc(C)ccc1C.
What is the InChIKey of 1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole?
The InChIKey is WYERSHPGPGARMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-18-9-10-19(2)21(15-18)17-31-23-12-11-20(16-24(23)30-3)25-26-13-14-27(25)32(28,29)22-7-5-4-6-8-22/h4-16H,17H2,1-3H3.
What are the key properties of 1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole?
1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole has a molecular weight of 448.54 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole is sourced from PubChem (CID 110529999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).