1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole

C14H11BrN2O2S — CID 1232682

IUPAC1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3
InChIKeyXPVLKLLDKADBDG-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.34
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole

1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole (PubChem CID 1232682) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole
PubChem CID1232682
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3
InChIKeyXPVLKLLDKADBDG-UHFFFAOYSA-N
XLogP3.34
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole (CID 1232682) is 1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole is Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole?
The InChIKey is XPVLKLLDKADBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole?
1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole has a molecular weight of 351.23 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-2-methylbenzimidazole is sourced from PubChem (CID 1232682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).