Cas no 16656-27-2 (1,2-Ethanediol,1,2-bis(5-methoxy-1H-benzimidazol-2-yl)- (9CI))

1,2-Ethanediol,1,2-bis(5-methoxy-1H-benzimidazol-2-yl)- (9CI) structure
16656-27-2 structure
Product Name:1,2-Ethanediol,1,2-bis(5-methoxy-1H-benzimidazol-2-yl)- (9CI)
CAS No:16656-27-2
MF:C18H18N4O4
MW:354.359923839569
CID:159508
PubChem ID:130471
Update Time:2025-04-19

1,2-Ethanediol,1,2-bis(5-methoxy-1H-benzimidazol-2-yl)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediol,1,2-bis(5-methoxy-1H-benzimidazol-2-yl)- (9CI)
    • bis-benzimidazole
    • (S,S)-1,2-Bis(5-methoxy-2-benzimidazolyl)-1,2-ethanediol
    • 1,2-bis(6-methoxy-1H-benzimidazol-2-yl)ethane-1,2-diol
    • 1,2-Ethanediol, 1,2-bis(5-methoxy-1H-benzimidazol-2-yl)-
    • A 36683
    • A 37536
    • A-36683
    • Abbot 36683
    • DTXSID70276316
    • MZMNCFAGSTVAOQ-UHFFFAOYSA-N
    • SCHEMBL7740448
    • 16656-27-2
    • 1,2-bis(5-methoxy-2-benzimidazol-2-yl)-1,2-ethanediol
    • Inchi: 1S/C18H18N4O4/c1-25-9-3-5-11-13(7-9)21-17(19-11)15(23)16(24)18-20-12-6-4-10(26-2)8-14(12)22-18/h3-8,15-16,23-24H,1-2H3,(H,19,21)(H,20,22)
    • InChI Key: MZMNCFAGSTVAOQ-UHFFFAOYSA-N
    • SMILES: OC(C1=NC2C=CC(=CC=2N1)OC)C(C1=NC2C=CC(=CC=2N1)OC)O

Computed Properties

  • Exact Mass: 352.11728
  • Monoisotopic Mass: 354.132805
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 5
  • Complexity: 442
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 116
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.483
  • Boiling Point: 757.6°Cat760mmHg
  • Flash Point: 412°C
  • Refractive Index: 1.751
  • PSA: 110.48
Recommended suppliers
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.