1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazol-9-ol, 4,5-dihydro-1-phenyl-

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Basic information

CAS: 76099-24-6
Standard SMILES: Oc1ccc2c(c1)nc1n2CC2COC1(c1ccccc1)O2
InChIKey: DTMAMQNWTCLWTH-UHFFFAOYSA-N
Molecular formula: C17H14N2O3
Average molar mass: 294.3 g/mol
Monoisotopic mass: 294.10044231

Names & identifiers

Preferred name: 1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazol-9-ol, 4,5-dihydro-1-phenyl-
IUPAC: 1-phenyl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4(9),5,7-tetraen-6-ol

Names & synonyms

BRN 51111794,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazol-9-ol76099-24-61,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazol-9-ol, 4,5-dihydro-1-phenyl-RefChem:220871DTXSID209974481-Phenyl-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a][1,3]benzimidazol-9-ol1-Phenyl-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]benzimidazol-9-ol

Database identifiers

CAS: 76099-24-6
PubChem CID: 3059092
DTXSID: DTXSID20997448

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 56.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 442

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Compound notes

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