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

N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methylbutanamide;2,4,6-trinitrophenolate

CAS: 22270-65-1

Molecular Formula	`C20H22N6O8`
Molecular Weight	474.4 g/mol
Topological Polar Surface Area	209.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	474.1499
Heavy Atoms	34
Complexity	572.0

Chemical Identifiers

CAS Number	22270-65-1
SMILES	`CC(C)CC(=O)NCC[N+]1=CNC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`GLCBSUZNLJKRNP-UHFFFAOYSA-N`

📖 Product Overview

N-(2-(1-Benzimidazolyl)ethyl)-3-methyl-butyramide monopicrate (CAS: 22270-65-1) is a chemical compound with molecular formula C20H22N6O8 and molecular weight 474.4 g/mol. Its IUPAC systematic name is N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methylbutanamide;2,4,6-trinitrophenolate. Topological Polar Surface Area 209.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 5 Exact Mass 474.1499 Heavy Atoms 34 Complexity 572.0 InChI Key: GLCBSUZNLJKRNP-UHFFFAOYSA-N. SMILES: CC(C)CC(=O)NCC[N+]1=CNC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].

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