1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone

C18H18N2O4S — CID 30906896

IUPAC1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone
SMILESCCOc1ccc(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)cc1
InChIInChI=1S/C18H18N2O4S/c1-3-24-14-10-8-13(9-11-14)17(21)12-20-16-7-5-4-6-15(16)19-18(20)25(2,22)23/h4-11H,3,12H2,1-2H3
InChIKeyYMEDSCVVPOGYLE-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.72
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone

1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone (PubChem CID 30906896) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone
PubChem CID30906896
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone
SMILESCCOc1ccc(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)cc1
InChIInChI=1S/C18H18N2O4S/c1-3-24-14-10-8-13(9-11-14)17(21)12-20-16-7-5-4-6-15(16)19-18(20)25(2,22)23/h4-11H,3,12H2,1-2H3
InChIKeyYMEDSCVVPOGYLE-UHFFFAOYSA-N
XLogP2.72
TPSA78.26 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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 142758042
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4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid
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2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
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N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
1-[(3R)-3-methylpiperidin-1-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone
CID 26550314
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
2-methylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone (CID 30906896) is 1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone is CCOc1ccc(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone?
The InChIKey is YMEDSCVVPOGYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-3-24-14-10-8-13(9-11-14)17(21)12-20-16-7-5-4-6-15(16)19-18(20)25(2,22)23/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone?
1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone has a molecular weight of 358.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 30906896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).