4-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one
Basic information
- CAS
491874-25-0- Standard SMILES
COc1ccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)cc1- InChIKey
VLCPUVMBBKJPBR-UHFFFAOYSA-N- Molecular formula
- C18H17N3O2
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.13207679
Names & identifiers
- Preferred name
- 4-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one
- IUPAC
- 4-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one
- English name
- 4-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one
- Molecular formula
- C18H17N3O2
- Molecular weight
- 307.35
Names & synonyms
491874-25-04-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one4-(1H-benzo[d]imidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one4-(1H-Benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-pyrrolidinone4-(1H-1,3-benzodiazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-oneMFCD030851454-benzimidazol-2-yl-1-(4-methoxyphenyl)pyrrolidin-2-oneF1994-0008DTXSID001183841ALBB-032575NSC778838SBB045412
Show more names
2-Pyrrolidinone, 4-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-4-(1H-1，3-benzodiazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one
STK895248AKOS000274923AKOS016041139NSC-778838LS-12132CS-0302837ST50145956H46434
Database identifiers
- CAS
491874-25-0- PubChem CID
- 4565013
- DTXSID
DTXSID001183841
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Melting point
- 224 · 224-225 °C
- Boiling point
- 671.7 · 671.7±50.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- pka
- 11.55 · 11.55±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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