6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C20H24BrN3O3S — CID 166341452

IUPAC6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCCc1cccc(CC)c1CNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C
InChIInChI=1S/C20H24BrN3O3S/c1-5-13-8-7-9-14(6-2)15(13)12-22-28(26,27)19-11-18-17(10-16(19)21)23(3)20(25)24(18)4/h7-11,22H,5-6,12H2,1-4H3
InChIKeyCCFQVGGVELMZCS-UHFFFAOYSA-N
MW466.40 g/mol
LogP3.24
Rot. Bonds6

About 6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 166341452) has the molecular formula C20H24BrN3O3S and a molecular weight of 466.40 g/mol. Its IUPAC name is 6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID166341452
Molecular FormulaC20H24BrN3O3S
Molecular Weight466.40 g/mol
Exact Mass465.07
IUPAC Name6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCCc1cccc(CC)c1CNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C
InChIInChI=1S/C20H24BrN3O3S/c1-5-13-8-7-9-14(6-2)15(13)12-22-28(26,27)19-11-18-17(10-16(19)21)23(3)20(25)24(18)4/h7-11,22H,5-6,12H2,1-4H3
InChIKeyCCFQVGGVELMZCS-UHFFFAOYSA-N
XLogP3.24
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 119960089
N-(3-aminopropyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 119962082
6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonyl fluoride
CID 165459709
6-bromo-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 166341369
N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide
CID 166341396
5,6-dibromo-1,3-dimethylbenzimidazol-2-one
CID 3517091
6-chloro-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxobenzimidazole-5-sulfonamide
CID 53092195
N-(1-aminopropan-2-yl)-6-bromo-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 119982580
N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-2-(methoxymethyl)-4-methylpentanamide
CID 166341348
5-(azepan-1-ylsulfonyl)-6-bromo-1,3-dimethylbenzimidazol-2-one
CID 71873704
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
methyl 2-[(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-5-methylbenzoate
CID 167895765

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 166341452) is 6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is CCc1cccc(CC)c1CNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C.
What is the InChIKey of 6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is CCFQVGGVELMZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3S/c1-5-13-8-7-9-14(6-2)15(13)12-22-28(26,27)19-11-18-17(10-16(19)21)23(3)20(25)24(18)4/h7-11,22H,5-6,12H2,1-4H3.
What are the key properties of 6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 466.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 166341452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).