2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole

C16H14N2O2S — CID 5225576

IUPAC2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole
SMILESCc1nc2ccccc2n1S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-13-17-15-9-5-6-10-16(15)18(13)21(19,20)12-11-14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyBDDVBCKEABSJLH-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.19
Rot. Bonds3

About 2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole

2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole (PubChem CID 5225576) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole.

Molecular Properties

Compound Name2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole
PubChem CID5225576
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole
SMILESCc1nc2ccccc2n1S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-13-17-15-9-5-6-10-16(15)18(13)21(19,20)12-11-14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyBDDVBCKEABSJLH-UHFFFAOYSA-N
XLogP3.19
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
2-methyl-1-piperazin-1-ylsulfonylbenzimidazole
CID 84760725
2-(2-phenylethenyl)-1-propan-2-ylbenzimidazole
CID 3787775
(E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide
CID 90481083
1-(4-methylphenyl)sulfonyl-2-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzimidazole
CID 155531033
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole
CID 22200675
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
1-(4-butan-2-ylphenyl)sulfonyl-2-methylbenzimidazole
CID 22200660
1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole
CID 177397978
2-[[1-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]benzimidazol-2-yl]amino]ethanol
CID 4968917
N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide
CID 72688822
2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole
CID 46253296

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole?
The IUPAC name of 2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole (CID 5225576) is 2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole.
What is the SMILES notation for 2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole?
The canonical SMILES for 2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole is Cc1nc2ccccc2n1S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole?
The InChIKey is BDDVBCKEABSJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-13-17-15-9-5-6-10-16(15)18(13)21(19,20)12-11-14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of 2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole?
2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole has a molecular weight of 298.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole is sourced from PubChem (CID 5225576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).