Basic information
- CAS
7303-78-8- Standard SMILES
CN(C)CCN1CCN(c2cccc(Cl)c2)C1=O- InChIKey
KACVTTZEMNWITH-UHFFFAOYSA-N- Molecular formula
- C13H18ClN3O
- Average molar mass
- 267.75 g/mol
- Monoisotopic mass
- 267.1138399
Overview
Imidoline is a small molecule drug. Imidoline has a monoisotopic molecular weight of 267.11 Da.
Names & identifiers
- Preferred name
- Imidoline
- IUPAC
- 1-(3-chlorophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one
- English name
- Imidoline
- Molecular formula
- C13H18ClN3O
- Molecular weight
- 267.75
Names & synonyms
Imidoline7303-78-8DTXSID2057813DR3D6KY80GDTXCID30316021-(m-Chlorophenyl)-3-(2-(dimethylamino)ethyl)-2-imidazolidinone2-Imidazolidinone, 1-(3-chlorophenyl)-3-(2-(dimethylamino)ethyl)-1-(2-(N,N-dimethylamino)ethyl)-3-3-chlorophenyl-2-imidazolidinoneRefChem:147998ImidolinaImidolinumImidoline [INN]
Show more names
2-Imidazolidinone, 1-(3-chlorophenyl)-3-[2-(dimethylamino)ethyl]-
1-(3-chlorophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-oneImidolinum [INN-Latin]Imidolina [INN-Spanish]UNII-DR3D6KY80GSCHEMBL349290CHEMBL2110673SCHEMBL295555861-(3-Chlorphenyl)-3-(2-dimethylaminoethyl)-2-imidazolidinon
Database identifiers
- CAS
7303-78-8- PubChem CID
- 23728
- DTXSID
DTXSID2057813- ChEMBL
CHEMBL2110673- UNII
- DR3D6KY80G
- Nikkaji
- J8.923K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 61 · 61-62 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling point
- 372.7 · 372.7±52.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 9.46 · 9.46±0.28(Predicted)
- FDA UNII
- 3 D6KY80G · DR3D6KY80G
Chemistry & industry
Applications
UsesAntipsychotic.
Suppliers2 total
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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