基本情報
- 標準SMILES
Cn1cc(C(=O)C2CCc3nc[nH]c3C2)c2ccccc21- InChIKey
NTHPAPBPFQJABD-UHFFFAOYSA-N- 分子式
- C17H17N3O
- 平均分子量
- 279.34 g/mol
名称と識別子
- 優先名称
- (1-methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzo[d]imidazol-6-yl)methanone
- IUPAC
- (1-methylindol-3-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
名称と別名
132036-39-6(1-methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzo[d]imidazol-6-yl)methanone5-[(1-Methylindole-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-bezimidazole(1-methylindol-3-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone6-(1-methyl-1H-indole-3-carbonyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazoleNTHPAPBPFQJABD-UHFFFAOYSA-Nmethanone, (1-methyl-1h-indol-3-yl)(4,5,6,7-tetrahydro-1h-benzimidazol-5-yl)- (9ci)CHEMBL325422SCHEMBL2021739SCHEMBL3865249(R)-(1-Methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzo[d]imidazol-6-yl)methanoneZINC00004624
名称をさらに表示
(1-Methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzimidazol-6-yl)methanone5-[(1-methylindole-3-yl)carbonyl]-4,5,6,7-tetrahydro-1h-bezimidazole, 98+%AKOS015896002AC-6375SB19072(1-methyl-1h-indol-3-yl)(4,5,6,7-tetrahydro-1h-benzo[d]imidazol-5-yl)methanoneFM148522DB-306380
データベース識別子
- PubChem CID
- 4442
- ChEMBL
CHEMBL325422
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 50.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 413
関連反応
5 件
化合物ノート
読み込み中…