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

C12H17N3O2S — CID 131934944

IUPACN-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide
SMILESCc1ccc2[nH]c(CCNS(C)(=O)=O)nc2c1C
InChIInChI=1S/C12H17N3O2S/c1-8-4-5-10-12(9(8)2)15-11(14-10)6-7-13-18(3,16)17/h4-5,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyPMHZGGGYBMWDGS-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.27
Rot. Bonds4

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

N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide (PubChem CID 131934944) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide
PubChem CID131934944
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide
SMILESCc1ccc2[nH]c(CCNS(C)(=O)=O)nc2c1C
InChIInChI=1S/C12H17N3O2S/c1-8-4-5-10-12(9(8)2)15-11(14-10)6-7-13-18(3,16)17/h4-5,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyPMHZGGGYBMWDGS-UHFFFAOYSA-N
XLogP1.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.27
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
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
CID 84618784
N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 131929792
2-(chloromethyl)-4-methyl-5-methylsulfonyl-1H-benzimidazole
CID 70595884
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91789595
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74230497
N-methyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)propan-1-amine
CID 82007930
(3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide
CID 122571426
(2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 95224011
2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole
CID 150245168
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide (CID 131934944) is N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide is Cc1ccc2[nH]c(CCNS(C)(=O)=O)nc2c1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide?
The InChIKey is PMHZGGGYBMWDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8-4-5-10-12(9(8)2)15-11(14-10)6-7-13-18(3,16)17/h4-5,13H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide?
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.27, 4 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]methanesulfonamide is sourced from PubChem (CID 131934944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).