Cas no 83330-80-7 (diethyl 2,2''-(2-oxo-1H-benzimidazole-1,3(2H)-diyl)diacetate)
83330-80-7 structure
Product Name:diethyl 2,2''-(2-oxo-1H-benzimidazole-1,3(2H)-diyl)diacetate
CAS No:83330-80-7
MF:C15H18N2O5
MW:306.313824176788
CID:988757
PubChem ID:302926
Update Time:2025-04-20
diethyl 2,2''-(2-oxo-1H-benzimidazole-1,3(2H)-diyl)diacetate Chemical and Physical Properties
Names and Identifiers
-
- diethyl 2,2''-(2-oxo-1H-benzimidazole-1,3(2H)-diyl)diacetate
- ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxobenzimidazol-1-yl]acetate
- MLS000062675
- HMS2359J19
- DTXSID80307307
- SR-01000527785
- 83330-80-7
- AKOS000286676
- diethyl 2,2'-(2-oxo-1H-benzimidazole-1,3(2H)-diyl)diacetate
- ETHYL 2-[3-(2-ETHOXY-2-OXOETHYL)-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-1-YL]ACETATE
- CCG-117225
- NSC190677
- Oprea1_276484
- HMS1374K21
- ChemDiv2_002001
- NSC-190677
- Oprea1_070433
- CHEMBL1444927
- SMR000071212
- SR-01000527785-1
- STK728435
-
- Inchi: 1S/C15H18N2O5/c1-3-21-13(18)9-16-11-7-5-6-8-12(11)17(15(16)20)10-14(19)22-4-2/h5-8H,3-4,9-10H2,1-2H3
- InChI Key: ZNFJQMSFNGBHEJ-UHFFFAOYSA-N
- SMILES: O=C1N(CC(=O)OCC)C2C=CC=CC=2N1CC(=O)OCC
Computed Properties
- Exact Mass: 306.12157168g/mol
- Monoisotopic Mass: 306.12157168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 402
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 76.2?2
diethyl 2,2''-(2-oxo-1H-benzimidazole-1,3(2H)-diyl)diacetate Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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