2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole

C24H18N2O2S — CID 3317705

IUPAC2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole
SMILESO=S(=O)(c1ccc2ccccc2c1)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H18N2O2S/c27-29(28,21-15-14-19-10-4-5-11-20(19)17-21)26-23-13-7-6-12-22(23)25-24(26)16-18-8-2-1-3-9-18/h1-15,17H,16H2
InChIKeyMSNLPEGMVOEPBL-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.02
Rot. Bonds4

About 2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole

2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole (PubChem CID 3317705) has the molecular formula C24H18N2O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole.

Molecular Properties

Compound Name2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole
PubChem CID3317705
Molecular FormulaC24H18N2O2S
Molecular Weight398.49 g/mol
Exact Mass398.11
IUPAC Name2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole
SMILESO=S(=O)(c1ccc2ccccc2c1)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H18N2O2S/c27-29(28,21-15-14-19-10-4-5-11-20(19)17-21)26-23-13-7-6-12-22(23)25-24(26)16-18-8-2-1-3-9-18/h1-15,17H,16H2
InChIKeyMSNLPEGMVOEPBL-UHFFFAOYSA-N
XLogP5.02
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole?
The IUPAC name of 2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole (CID 3317705) is 2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole.
What is the SMILES notation for 2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole?
The canonical SMILES for 2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole is O=S(=O)(c1ccc2ccccc2c1)n1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole?
The InChIKey is MSNLPEGMVOEPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S/c27-29(28,21-15-14-19-10-4-5-11-20(19)17-21)26-23-13-7-6-12-22(23)25-24(26)16-18-8-2-1-3-9-18/h1-15,17H,16H2.
What are the key properties of 2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole?
2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole has a molecular weight of 398.49 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-naphthalen-2-ylsulfonylbenzimidazole is sourced from PubChem (CID 3317705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).