5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole

C15H13BrN2O2S — CID 156524125

IUPAC5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
SMILESCc1ccc(S(=O)(=O)n2c(C)nc3cc(Br)ccc32)cc1
InChIInChI=1S/C15H13BrN2O2S/c1-10-3-6-13(7-4-10)21(19,20)18-11(2)17-14-9-12(16)5-8-15(14)18/h3-9H,1-2H3
InChIKeyUOXFMNSQZRPFJV-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.65
Rot. Bonds2

About 5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole

5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole (PubChem CID 156524125) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
PubChem CID156524125
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
SMILESCc1ccc(S(=O)(=O)n2c(C)nc3cc(Br)ccc32)cc1
InChIInChI=1S/C15H13BrN2O2S/c1-10-3-6-13(7-4-10)21(19,20)18-11(2)17-14-9-12(16)5-8-15(14)18/h3-9H,1-2H3
InChIKeyUOXFMNSQZRPFJV-UHFFFAOYSA-N
XLogP3.65
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
5-bromo-1-(4-methylphenyl)sulfonylindazole
CID 58137189
2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 174939258
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
5-bromo-2-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 135298225
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
2-bromo-6-methyl-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
CID 58557085
2-(isocyanomethyl)-5-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 158778730
2,6,7-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 141175865
2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
CID 10709284
1-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
CID 46703171
5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
CID 90800425

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole?
The IUPAC name of 5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole (CID 156524125) is 5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole is Cc1ccc(S(=O)(=O)n2c(C)nc3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole?
The InChIKey is UOXFMNSQZRPFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-10-3-6-13(7-4-10)21(19,20)18-11(2)17-14-9-12(16)5-8-15(14)18/h3-9H,1-2H3.
What are the key properties of 5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole?
5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole has a molecular weight of 365.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 156524125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).