N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide

C13H19N3O2S — CID 131929792

IUPACN-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
SMILESCc1cccc2[nH]c(CCNS(=O)(=O)C(C)C)nc12
InChIInChI=1S/C13H19N3O2S/c1-9(2)19(17,18)14-8-7-12-15-11-6-4-5-10(3)13(11)16-12/h4-6,9,14H,7-8H2,1-3H3,(H,15,16)
InChIKeyBTYNPFHDIHHMOT-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.74
Rot. Bonds5

About N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide

N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide (PubChem CID 131929792) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
PubChem CID131929792
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
SMILESCc1cccc2[nH]c(CCNS(=O)(=O)C(C)C)nc12
InChIInChI=1S/C13H19N3O2S/c1-9(2)19(17,18)14-8-7-12-15-11-6-4-5-10(3)13(11)16-12/h4-6,9,14H,7-8H2,1-3H3,(H,15,16)
InChIKeyBTYNPFHDIHHMOT-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 131918098
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine
CID 82846263
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide
CID 131934944
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110711922
3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea
CID 125437978
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119607252
2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole
CID 19000532
2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid
CID 119358657

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide (CID 131929792) is N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide is Cc1cccc2[nH]c(CCNS(=O)(=O)C(C)C)nc12.
What is the InChIKey of N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide?
The InChIKey is BTYNPFHDIHHMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(2)19(17,18)14-8-7-12-15-11-6-4-5-10(3)13(11)16-12/h4-6,9,14H,7-8H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide?
N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 131929792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).