N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide

C14H21N3O2S — CID 131918098

IUPACN-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
SMILESCc1ccc2[nH]c(CCNS(=O)(=O)C(C)C)nc2c1C
InChIInChI=1S/C14H21N3O2S/c1-9(2)20(18,19)15-8-7-13-16-12-6-5-10(3)11(4)14(12)17-13/h5-6,9,15H,7-8H2,1-4H3,(H,16,17)
InChIKeyRXTJSOMMXBOHSD-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.05
Rot. Bonds5

About N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide

N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide (PubChem CID 131918098) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
PubChem CID131918098
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
SMILESCc1ccc2[nH]c(CCNS(=O)(=O)C(C)C)nc2c1C
InChIInChI=1S/C14H21N3O2S/c1-9(2)20(18,19)15-8-7-13-16-12-6-5-10(3)11(4)14(12)17-13/h5-6,9,15H,7-8H2,1-4H3,(H,16,17)
InChIKeyRXTJSOMMXBOHSD-UHFFFAOYSA-N
XLogP2.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide (CID 131918098) is N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide is Cc1ccc2[nH]c(CCNS(=O)(=O)C(C)C)nc2c1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide?
The InChIKey is RXTJSOMMXBOHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9(2)20(18,19)15-8-7-13-16-12-6-5-10(3)11(4)14(12)17-13/h5-6,9,15H,7-8H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide?
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide has a molecular weight of 295.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 131918098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).