N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-N-phenylbenzamide

HCID 7019403

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Basic information

CAS: 166904-53-6
Standard SMILES: O=C(c1ccccc1)N(CC1=[NH+]CCN1)c1ccccc1
InChIKey: KUXMXNOUSXQEKU-UHFFFAOYSA-O
Molecular formula: C17H18N3O+
Average molar mass: 280.34 g/mol
Monoisotopic mass: 280.14498721

Names & identifiers

Preferred name: N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-N-phenylbenzamide
IUPAC: N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-N-phenylbenzamide

Names & synonyms

166904-53-6N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-N-phenylbenzamideZINC02559257DTXSID004271122-[(N-Phenylbenzamido)methyl]-4,5-dihydro-1H-imidazol-3-ium

Database identifiers

CAS: 166904-53-6
PubChem CID: 7019403
DTXSID: DTXSID00427112

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 1
Complexity: 371

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