基本情報
- CAS
70842-07-8- 標準SMILES
CC1(C)NC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=N- InChIKey
JOIVGWJZFMIXDA-UHFFFAOYSA-N- 分子式
- C12H11ClF3N3O
- 平均分子量
- 305.68 g/mol
- 単同位体質量
- 305.05427431
名称と識別子
- 優先名称
- 1-(4-Chloro-3-(trifluoromethyl)phenyl)-5-imino-4,4-dimethyl-4,5-dihydro-1H-imidazol-2-ol
- IUPAC
- 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-imino-4,4-dimethylimidazolidin-2-one
名称と別名
70842-07-8DTXSID609911021-(4-Chloro-3-(trifluoromethyl)phenyl)-5-imino-4,4-dimethyl-4,5-dihydro-1H-imidazol-2-ol1-[4-Chloro-3-(trifluoromethyl)phenyl]-5-imino-4,4-dimethyl-4,5-dihydro-1H-imidazol-2-olRefChem:1054308DTXCID3014181882-Imidazolidinone, 1-(4-chloro-3-(trifluoromethyl)phenyl)-5-imino-4,4-dimethyl-BRN 08207791-(3-Trifluormethyl-4-chlor-phenyl)-5-imino-4,4-dimethyl-2-imidazolidinon [German]2-Imidazolidinone, 3-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-5,5-dimethyl-4-imino-3-(4-Chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-5,5-dimethyl-4-imino-2-imidazolidinoneSCHEMBL11087769
名称をさらに表示
1-(3-Trifluormethyl-4-chlor-phenyl)-5-imino-4,4-dimethyl-2-imidazolidinon1-(3-trifluoromethyl-4-chlorophenyl)-5-imino-4,4-dimethyl-2-imidazolidinone
データベース識別子
- CAS
70842-07-8- PubChem CID
- 3054080
- DTXSID
DTXSID60991102
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 56.2 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 1
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 438
関連反応
6 件
化合物ノート
読み込み中…