Cas no 5990-96-5 (4-[1-(2-methylbenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine)
![4-[1-(2-methylbenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine structure](https://ossimg.kuujia.com/scimg/6000/5990-96-5x500.png)
5990-96-5 structure
Product Name:4-[1-(2-methylbenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CAS No:5990-96-5
MF:C17H15N5O
MW:305.333902597427
CID:1622611
PubChem ID:753165
Update Time:2025-04-21
4-[1-(2-methylbenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine Chemical and Physical Properties
Names and Identifiers
-
- 4-[1-(2-methylbenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
- AKOS000596331
- CCG-114345
- CB07229
- CBMicro_005174
- DTXSID80353788
- STL388264
- SCHEMBL1899944
- SMSF0010844
- BIM-0005252.P001
- Oprea1_405701
- EU-0081315
- 4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
- 5990-96-5
- 356095-69-7
-
- Inchi： 1S/C17H15N5O/c1-11-6-2-3-7-12(11)10-22-14-9-5-4-8-13(14)19-17(22)15-16(18)21-23-20-15/h2-9H,10H2,1H3,(H2,18,21)
- InChI Key： HIUITJWNRMJIBF-UHFFFAOYSA-N
- SMILES： O1N=C(C(C2=NC3C=CC=CC=3N2CC2C=CC=CC=2C)=N1)N
Computed Properties
- Exact Mass: 305.12785
- Monoisotopic Mass: 305.12766012g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 408
- 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: 2.6
- Topological Polar Surface Area: 82.8?2
Experimental Properties
- PSA: 82.76
4-[1-(2-methylbenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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