4-[4-(4-Carbamimidoylphenyl)piperazin-1-yl]benzenecarboximidamide
Basic information
- CAS
123885-92-7- Standard SMILES
N=C(N)c1ccc(N2CCN(c3ccc(C(=N)N)cc3)CC2)cc1- InChIKey
GFDIGDWACCJVOI-UHFFFAOYSA-N- Molecular formula
- C18H22N6
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.19059473
Names & identifiers
- Preferred name
- 4-[4-(4-Carbamimidoylphenyl)piperazin-1-yl]benzenecarboximidamide
- IUPAC
- 4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]benzenecarboximidamide
Names & synonyms
123885-92-7CHEMBL91264-[4-(4-carbamimidoylphenyl)piperazin-1-yl]benzenecarboximidamideSCHEMBL2403330DTXSID10333078BDBM501893094-[4-(4-Amidinophenyl)piperazinyl]benzenecarboxamidine4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]benzamidine4,4'-(Piperazine-1,4-diyl)di(benzene-1-carboximidamide)
Database identifiers
- CAS
123885-92-7- PubChem CID
- 480183
- DTXSID
DTXSID10333078- ChEMBL
CHEMBL9126- Nikkaji
- J1.097.948J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
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Related reactions
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Compound notes
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