Benzimidazole, 2,2'-(N-butyliminodimethylene)bis(5,6-dichloro-, dihydrochloride

HCID 59437

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Basic information

CAS: 102516-87-0
Standard SMILES: CCCC[NH+](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)Cc1[nH]c2cc(Cl)c(Cl)cc2[nH+]1.[Cl-].[Cl-]
InChIKey: FOUCFNRXKRILTM-UHFFFAOYSA-N
Molecular formula: C20H21Cl6N5
Average molar mass: 544.1 g/mol
Monoisotopic mass: 540.992812

Names & identifiers

Preferred name: Benzimidazole, 2,2'-(N-butyliminodimethylene)bis(5,6-dichloro-, dihydrochloride
IUPAC: butyl-[(5,6-dichloro-1H-benzimidazol-3-ium-2-yl)methyl]-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]azanium dichloride

Names & synonyms

102516-87-0BENZIMIDAZOLE, 2,2'-(N-BUTYLIMINODIMETHYLENE)BIS(5,6-DICHLORO-, DIHYDROCHLORIDERefChem:10787772,2'-(N-Butyliminodimethylene)bis(5,6-dichlorobenzimidazole) dihydrochloride

Database identifiers

CAS: 102516-87-0
PubChem CID: 59437

Properties

Computed structural properties

Topological polar surface area: 63.1 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 31
Formal charge: 0
Complexity: 525

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