1-naphthalen-2-ylsulfonylbenzimidazole

C17H12N2O2S — CID 647417

IUPAC1-naphthalen-2-ylsulfonylbenzimidazole
SMILESO=S(=O)(c1ccc2ccccc2c1)n1cnc2ccccc21
InChIInChI=1S/C17H12N2O2S/c20-22(21,19-12-18-16-7-3-4-8-17(16)19)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H
InChIKeyXBVZLEZLYUQFDX-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.43
Rot. Bonds2

About 1-naphthalen-2-ylsulfonylbenzimidazole

1-naphthalen-2-ylsulfonylbenzimidazole (PubChem CID 647417) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonylbenzimidazole.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonylbenzimidazole
PubChem CID647417
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name1-naphthalen-2-ylsulfonylbenzimidazole
SMILESO=S(=O)(c1ccc2ccccc2c1)n1cnc2ccccc21
InChIInChI=1S/C17H12N2O2S/c20-22(21,19-12-18-16-7-3-4-8-17(16)19)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H
InChIKeyXBVZLEZLYUQFDX-UHFFFAOYSA-N
XLogP3.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1088438
2-Methyl-1-(4-methylphenyl)sulfonylbenzimidazole
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1-(Mesitylsulfonyl)-1H-benzimidazole
CID 576712
1-(Toluene-4-sulfonyl)-1H-benzoimidazole
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N-(1-benzyl-1H-benzo[d]imidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 44567354
1-(4-Fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 755179
4-methyl-N-(2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenyl)benzenesulfonamide
CID 1147318
1-(4-Fluoro-3-methylbenzenesulfonyl)-2-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1H-1,3-benzodiazole
CID 16034073
1-methyl-2-(4-tosylpiperazin-1-yl)-1H-benzo[d]imidazole
CID 16812383
N-Cyclohexyl-N-methyl-4-(2-methyl-benzoimidazol-1-ylmethyl)-benzenesulfonamide
CID 44284466
4-(1-Methylbenzimidazol-2-yl)benzenesulfonamide
CID 67472718
1-(4-Fluorophenyl)sulfonylbenzimidazole
CID 684711

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonylbenzimidazole?
The IUPAC name of 1-naphthalen-2-ylsulfonylbenzimidazole (CID 647417) is 1-naphthalen-2-ylsulfonylbenzimidazole.
What is the SMILES notation for 1-naphthalen-2-ylsulfonylbenzimidazole?
The canonical SMILES for 1-naphthalen-2-ylsulfonylbenzimidazole is O=S(=O)(c1ccc2ccccc2c1)n1cnc2ccccc21.
What is the InChIKey of 1-naphthalen-2-ylsulfonylbenzimidazole?
The InChIKey is XBVZLEZLYUQFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c20-22(21,19-12-18-16-7-3-4-8-17(16)19)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H.
What are the key properties of 1-naphthalen-2-ylsulfonylbenzimidazole?
1-naphthalen-2-ylsulfonylbenzimidazole has a molecular weight of 308.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonylbenzimidazole is sourced from PubChem (CID 647417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).