N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride

C11H16BrClN4O3S — CID 119960089

IUPACN-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
SMILESCl.Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCN)c(Br)cc21
InChIInChI=1S/C11H15BrN4O3S.ClH/c1-15-8-5-7(12)10(20(18,19)14-4-3-13)6-9(8)16(2)11(15)17;/h5-6,14H,3-4,13H2,1-2H3;1H
InChIKeyUKQSCTIHZTVTFY-UHFFFAOYSA-N
MW399.70 g/mol
LogP0.30
Rot. Bonds4

About N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride

N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride (PubChem CID 119960089) has the molecular formula C11H16BrClN4O3S and a molecular weight of 399.70 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
PubChem CID119960089
Molecular FormulaC11H16BrClN4O3S
Molecular Weight399.70 g/mol
Exact Mass397.98
IUPAC NameN-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
SMILESCl.Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCN)c(Br)cc21
InChIInChI=1S/C11H15BrN4O3S.ClH/c1-15-8-5-7(12)10(20(18,19)14-4-3-13)6-9(8)16(2)11(15)17;/h5-6,14H,3-4,13H2,1-2H3;1H
InChIKeyUKQSCTIHZTVTFY-UHFFFAOYSA-N
XLogP0.30
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.70
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminopropyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 119962082
N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
CID 119960307
6-bromo-N-[(2,6-diethylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 166341452
N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120706199
6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonyl fluoride
CID 165459709
N-(1-aminopropan-2-yl)-6-bromo-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 119982580
N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide
CID 120706161
5,6-dibromo-1,3-dimethylbenzimidazol-2-one
CID 3517091
6-bromo-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 166341369
5-(azepan-1-ylsulfonyl)-6-bromo-1,3-dimethylbenzimidazol-2-one
CID 71873704
N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-2-(methoxymethyl)-4-methylpentanamide
CID 166341348
N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide
CID 166341396

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride (CID 119960089) is N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride is Cl.Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCN)c(Br)cc21.
What is the InChIKey of N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride?
The InChIKey is UKQSCTIHZTVTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O3S.ClH/c1-15-8-5-7(12)10(20(18,19)14-4-3-13)6-9(8)16(2)11(15)17;/h5-6,14H,3-4,13H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride?
N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride has a molecular weight of 399.70 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119960089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).