N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide

C13H19N3O2S — CID 110779248

IUPACN-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C13H19N3O2S/c1-4-5-8-19(17,18)15-11-6-7-13-12(9-11)14-10(2)16(13)3/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyBUYGZAUFIOGPKO-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.42
Rot. Bonds5

About N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide

N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide (PubChem CID 110779248) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide
PubChem CID110779248
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C13H19N3O2S/c1-4-5-8-19(17,18)15-11-6-7-13-12(9-11)14-10(2)16(13)3/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyBUYGZAUFIOGPKO-UHFFFAOYSA-N
XLogP2.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825231
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-(chloromethyl)-1,2-dimethylbenzimidazol-5-amine
CID 115262747
3-[(1,2-dimethylbenzimidazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 115136437
N-(2-methyl-1,3-benzothiazol-5-yl)dodecane-1-sulfonamide
CID 59079299
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497
N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide
CID 110779021
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
4-(butylsulfonylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 19683751
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate
CID 115232706
1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine
CID 115196322

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide (CID 110779248) is N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide?
The InChIKey is BUYGZAUFIOGPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-5-8-19(17,18)15-11-6-7-13-12(9-11)14-10(2)16(13)3/h6-7,9,15H,4-5,8H2,1-3H3.
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide?
N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide has a molecular weight of 281.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide is sourced from PubChem (CID 110779248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).