N-(2-(1-Benzimidazolyl)ethyl)-3-methyl-butyramide oxalate

N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methylbutanamide;2-hydroxy-2-oxoacetate

CAS: 22270-63-9

Molecular Formula	`C16H21N3O5`
Molecular Weight	335.35 g/mol
Topological Polar Surface Area	126.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	335.14813
Heavy Atoms	24
Complexity	358.0

Chemical Identifiers

CAS Number	22270-63-9
SMILES	`CC(C)CC(=O)NCC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])O`
InChIKey	`DYDDHQPTHPVHRO-UHFFFAOYSA-N`

📖 Product Overview

N-(2-(1-Benzimidazolyl)ethyl)-3-methyl-butyramide oxalate (CAS: 22270-63-9) is a chemical compound with molecular formula C16H21N3O5 and molecular weight 335.35 g/mol. Its IUPAC systematic name is N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methylbutanamide;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 126.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 335.14813 Heavy Atoms 24 Complexity 358.0 InChI Key: DYDDHQPTHPVHRO-UHFFFAOYSA-N. SMILES: CC(C)CC(=O)NCC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])O.

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