2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole

C20H15BrN2O2S — CID 2920982

IUPAC2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole
SMILESO=S(=O)(c1ccc(Br)cc1)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H15BrN2O2S/c21-16-10-12-17(13-11-16)26(24,25)23-19-9-5-4-8-18(19)22-20(23)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyHDRMNWXNLFBTFV-UHFFFAOYSA-N
MW427.32 g/mol
LogP4.63
Rot. Bonds4

About 2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole

2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole (PubChem CID 2920982) has the molecular formula C20H15BrN2O2S and a molecular weight of 427.32 g/mol. Its IUPAC name is 2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole
PubChem CID2920982
Molecular FormulaC20H15BrN2O2S
Molecular Weight427.32 g/mol
Exact Mass426.00
IUPAC Name2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole
SMILESO=S(=O)(c1ccc(Br)cc1)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H15BrN2O2S/c21-16-10-12-17(13-11-16)26(24,25)23-19-9-5-4-8-18(19)22-20(23)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyHDRMNWXNLFBTFV-UHFFFAOYSA-N
XLogP4.63
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole?
The IUPAC name of 2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole (CID 2920982) is 2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole.
What is the SMILES notation for 2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole?
The canonical SMILES for 2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole is O=S(=O)(c1ccc(Br)cc1)n1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole?
The InChIKey is HDRMNWXNLFBTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O2S/c21-16-10-12-17(13-11-16)26(24,25)23-19-9-5-4-8-18(19)22-20(23)14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole?
2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole has a molecular weight of 427.32 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(4-bromophenyl)sulfonylbenzimidazole is sourced from PubChem (CID 2920982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).