1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole

C18H18N2O4S — CID 110535227

IUPAC1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
SMILESCCOc1c(OC)cccc1-c1nccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4S/c1-3-24-17-15(10-7-11-16(17)23-2)18-19-12-13-20(18)25(21,22)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3
InChIKeyYEVOVVLELCPARS-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.19
Rot. Bonds6

About 1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole

1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole (PubChem CID 110535227) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
PubChem CID110535227
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
SMILESCCOc1c(OC)cccc1-c1nccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4S/c1-3-24-17-15(10-7-11-16(17)23-2)18-19-12-13-20(18)25(21,22)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3
InChIKeyYEVOVVLELCPARS-UHFFFAOYSA-N
XLogP3.19
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole
CID 110530000
1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole
CID 110532187
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
1-(benzenesulfonyl)-2-(4-ethoxy-3-nitrophenyl)imidazole
CID 110534191
1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole
CID 110529999
2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole
CID 110538203
1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
CID 110534917
1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole
CID 110531048
1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
CID 110536342
3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole
CID 110535784
1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine
CID 142181785
2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole
CID 846977

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole (CID 110535227) is 1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole is CCOc1c(OC)cccc1-c1nccn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole?
The InChIKey is YEVOVVLELCPARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-3-24-17-15(10-7-11-16(17)23-2)18-19-12-13-20(18)25(21,22)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole?
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole has a molecular weight of 358.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole is sourced from PubChem (CID 110535227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).