Chem
J-GLOBAL ID：200907090069359026   Nikkaji number：J1.743.847F

(4R)-1-Methyl-2-(benzylideneamino)-4β-[1-methyl-2-(benzylideneamino)-5-imidazolyl]-4,5,6,7-tetrahydro-1H-benzimidazole-5α,6β-dimethanol

(4R)-1-メチル-2-(ベンジリデンアミノ)-4β-[1-メチル-2-(ベンジリデンアミノ)-5-イミダゾリル]-4,5,6,7-テトラヒドロ-1H-ベンゾイミダゾール-5α,6β-ジメタノール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C28H30N6O2
Molecular formula furigana： C28-H30-N6-O2
Molecular weight： 482.588
InChI： InChI=1S/C28H30N6O2/c1-33-23-13-21(17-35)22(18-36)25(26(23)32-28(33)30-15-20-11-7-4-8-12-20)24-16-31-27(34(24)2)29-14-19-9-5-3-6-10-19/h3-12,14-16,21-22,25,35-36H,13,17-18H2,1-2H3/t21-,22-,25-/m1/s1
InChI key： CNIARIOCPUHZPU-TZBSWOFLSA-N
SMILES： Cn1c2C[C@H](CO)[C@@H](CO)[C@H](c3cnc(N=Cc4ccccc4)n3C)c2nc1N=Cc1ccccc1
Systematic name  (3)：
  • (4R)-1-メチル-2-(ベンジリデンアミノ)-4β-[1-メチル-2-(ベンジリデンアミノ)-5-イミダゾリル]-4,5,6,7-テトラヒドロ-1H-ベンゾイミダゾール-5α,6β-ジメタノール
  • [(4R,5S,6S)-5-(ヒドロキシメチル)-1-メチル-4-{1-メチル-2-[(フェニルメチリデン)アミノ]-1H-イミダゾール-5-イル}-2-[(フェニルメチリデン)アミノ]-4,5,6,7-テトラヒドロ-1H-1,3-ベンゾジアゾール-6-イル]メタノール
  • [(4R,5S,6S)-5-(hydroxymethyl)-1-methyl-4-{1-methyl-2-[(phenylmethylidene)amino]-1H-imidazol-5-yl}-2-[(phenylmethylidene)amino]-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-6-yl]methanol
Other name (1)：
  • (4R)-1-Methyl-2-(benzylideneamino)-4β-[1-methyl-2-(benzylideneamino)-5-imidazolyl]-4,5,6,7-tetrahydro-1H-benzimidazole-5α,6β-dimethanol
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