1-{[4-(3-Chlorophenyl)piperazin-1-yl]methyl}-1H-benzimidazole
Basic information
- CAS
5514-47-6- Standard SMILES
Clc1cccc(N2CCN(Cn3cnc4ccccc43)CC2)c1- InChIKey
MQMAYYRVPPDKMZ-UHFFFAOYSA-N- Molecular formula
- C18H19ClN4
- Average molar mass
- 326.8 g/mol
- Monoisotopic mass
- 326.1298243
Names & identifiers
- Preferred name
- 1-{[4-(3-Chlorophenyl)piperazin-1-yl]methyl}-1H-benzimidazole
- IUPAC
- 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
Names & synonyms
5514-47-6DTXSID409704901-{[4-(3-Chlorophenyl)piperazin-1-yl]methyl}-1H-benzimidazoleAKOS001044949SR-01000056813SR-01000056813-1Z441162521-{[4-(3-Chlorophenyl)piperazin-1-yl]methyl}-1H-1,3-benzimidazole
Database identifiers
- CAS
5514-47-6- PubChem CID
- 5209936
- DTXSID
DTXSID40970490
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 24.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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