6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole

C21H18N2O2S — CID 56649677

IUPAC6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C21H18N2O2S/c1-2-26(24,25)18-11-12-19-20(14-18)23-21(22-19)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,22,23)
InChIKeyUCTMDJGIDNKBDF-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.69
Rot. Bonds4

About 6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole

6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole (PubChem CID 56649677) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole
PubChem CID56649677
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C21H18N2O2S/c1-2-26(24,25)18-11-12-19-20(14-18)23-21(22-19)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,22,23)
InChIKeyUCTMDJGIDNKBDF-UHFFFAOYSA-N
XLogP4.69
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenylbenzimidazole-5-Sulfonic Acid
CID 33919
(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine
CID 11710963
2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 685518
Albendazole-2-aminosulfone
CID 88125
6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole
CID 70697155
2-{2-[(3,4-dimethylphenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 773571
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 780101
Ensulizole sodium
CID 23663543
4-[[2-Tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonylmethyl]benzonitrile
CID 44449255
2-Tert-butyl-1-(cyclohexylmethyl)-5-ethylsulfonylbenzimidazole
CID 44449353
5-chloro-6-[(4-chlorophenyl)methylsulfinyl]-2-cyclohexyl-1H-benzimidazole
CID 44449472
2-(3-phenylphenyl)-6-propylsulfonyl-1H-benzimidazole
CID 66575661

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole?
The IUPAC name of 6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole (CID 56649677) is 6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole is CCS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3)[nH]c2c1.
What is the InChIKey of 6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole?
The InChIKey is UCTMDJGIDNKBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-2-26(24,25)18-11-12-19-20(14-18)23-21(22-19)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,22,23).
What are the key properties of 6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole?
6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole has a molecular weight of 362.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole is sourced from PubChem (CID 56649677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).