2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide

C13H19N3O2S — CID 110760149

IUPAC2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)NCCC(C)C)cc2[nH]1
InChIInChI=1S/C13H19N3O2S/c1-9(2)6-7-14-19(17,18)11-4-5-12-13(8-11)16-10(3)15-12/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyREKBLNQXPOLRKT-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.20
Rot. Bonds5

About 2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide

2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 110760149) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide
PubChem CID110760149
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)NCCC(C)C)cc2[nH]1
InChIInChI=1S/C13H19N3O2S/c1-9(2)6-7-14-19(17,18)11-4-5-12-13(8-11)16-10(3)15-12/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyREKBLNQXPOLRKT-UHFFFAOYSA-N
XLogP2.20
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760103
N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760105
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
2-methyl-N-(3-methylbutyl)-1,3-benzoxazole-6-sulfonamide
CID 46374849
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054
2-methyl-N-(1-methylsulfonylpropan-2-yl)-3H-benzimidazol-5-amine
CID 64630141
N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide
CID 141078201
4-chloro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 113098372
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785691
2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol
CID 116852802
N-butyl-2-methylsulfonyl-3H-benzimidazole-5-sulfonamide
CID 123698941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide (CID 110760149) is 2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide is Cc1nc2ccc(S(=O)(=O)NCCC(C)C)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is REKBLNQXPOLRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(2)6-7-14-19(17,18)11-4-5-12-13(8-11)16-10(3)15-12/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide?
2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 281.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).