5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole

C25H24N2O3S — CID 147036147

IUPAC5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole
SMILESO=S(=O)(Cc1ccccc1)Cc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C25H24N2O3S/c28-31(29,17-21-6-2-1-3-7-21)18-22-12-10-20(11-13-22)14-15-30-25-9-5-4-8-23(25)24-16-26-19-27-24/h1-13,16,19H,14-15,17-18H2,(H,26,27)
InChIKeyAYNSOYZWYHHDOA-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.81
Rot. Bonds9

About 5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole

5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole (PubChem CID 147036147) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole
PubChem CID147036147
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole
SMILESO=S(=O)(Cc1ccccc1)Cc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C25H24N2O3S/c28-31(29,17-21-6-2-1-3-7-21)18-22-12-10-20(11-13-22)14-15-30-25-9-5-4-8-23(25)24-16-26-19-27-24/h1-13,16,19H,14-15,17-18H2,(H,26,27)
InChIKeyAYNSOYZWYHHDOA-UHFFFAOYSA-N
XLogP4.81
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-phenylpropane-2-thione
CID 159392368
4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline
CID 143884976
4-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid
CID 52934164
5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole
CID 52933449
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one
CID 70926091
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(2-nitrophenyl)propan-2-one
CID 159470931
5-[2-(2-thiophen-2-ylethoxy)phenyl]-1H-imidazole
CID 52933204
N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine
CID 67222889
2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde
CID 143884984
5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole
CID 58294140
1-hydroxy-3-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-1-(oxan-4-yl)urea
CID 86673016
S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine
CID 143884941

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole?
The IUPAC name of 5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole (CID 147036147) is 5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole.
What is the SMILES notation for 5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole?
The canonical SMILES for 5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole is O=S(=O)(Cc1ccccc1)Cc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1.
What is the InChIKey of 5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole?
The InChIKey is AYNSOYZWYHHDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c28-31(29,17-21-6-2-1-3-7-21)18-22-12-10-20(11-13-22)14-15-30-25-9-5-4-8-23(25)24-16-26-19-27-24/h1-13,16,19H,14-15,17-18H2,(H,26,27).
What are the key properties of 5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole?
5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole has a molecular weight of 432.55 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole is sourced from PubChem (CID 147036147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).