1-[4-(N-hydroxyamidino)-2,3-dihydro-1H-inden-1-ylideneamino]-2-amino-4-(4-methoxyphenyl)-imidazole dihydrochloride
Basic information
- Standard SMILES
COc1ccc(-c2cn(N=C3CCc4c(C(=N)NO)cccc43)c(N)n2)cc1.Cl.Cl- InChIKey
YKBFADXITWUIFF-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2N6O2
- Average molar mass
- 449.3 g/mol
- Monoisotopic mass
- 448.1181294
Names & identifiers
- Preferred name
- 1-[4-(N-hydroxyamidino)-2,3-dihydro-1H-inden-1-ylideneamino]-2-amino-4-(4-methoxyphenyl)-imidazole dihydrochloride
- IUPAC
- 1-[2-amino-4-(4-methoxyphenyl)imidazol-1-yl]imino-N'-hydroxy-2,3-dihydroindene-4-carboximidamide;dihydrochloride
Names & synonyms
SCHEMBL6812270YKBFADXITWUIFF-UHFFFAOYSA-N1-[4-(N-Hydroxyamidino)-2,3-dihydro-1H-inden-1-ylideneamino]-2-amino-4-(4-methoxvphenyl)-imidazole dihydrochloride1-[4-(N-hydroxyamidino)-2,3-dihydro-1H-inden-1-ylideneamino]-2-amino-4-(4-methoxyphenyl)-imidazole dihydrochloride
Database identifiers
- PubChem CID
- 86753373
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 604
Related reactions
2 records
Compound notes
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