4-(6-(5-(4-Methyl-1-piperazinyl)-1H-benzimidazol-2-yl)-2-benzoxazolyl)phenol
Basic information
- CAS
126824-04-2- Standard SMILES
CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(O)cc6)oc5c4)[nH]c3c2)CC1- InChIKey
ZPZWZPWBOAJODE-UHFFFAOYSA-N- Molecular formula
- C25H23N5O2
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.18517499
Names & identifiers
- Preferred name
- 4-(6-(5-(4-Methyl-1-piperazinyl)-1H-benzimidazol-2-yl)-2-benzoxazolyl)phenol
- IUPAC
- 4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]phenol
Names & synonyms
4-(6-(5-(4-Methyl-1-piperazinyl)-1H-benzimidazol-2-yl)-2-benzoxazolyl)phenol126824-04-2RefChem:288366SCHEMBL14656868SCHEMBL14669427DTXSID509257144-{6-[6-(4-Methylpiperazin-1-yl)-1H-1,3-benzimidazol-2-yl]-1,3-benzoxazol-2(3H)-ylidene}cyclohexa-2,5-dien-1-one4-{6-[6-(4-Methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-benzoxazol-2(3H)-ylidene}cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
126824-04-2- PubChem CID
- 148071
- DTXSID
DTXSID50925714- Nikkaji
- J489.992J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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