Cas no 953071-94-8 (1H-Benzimidazole, 7-fluoro-2-(1-methylethyl)-)
953071-94-8 structure
Product Name:1H-Benzimidazole, 7-fluoro-2-(1-methylethyl)-
CAS No:953071-94-8
MF:C10H11FN2
MW:178.206145524979
CID:802620
PubChem ID:45120596
Update Time:2025-04-19
1H-Benzimidazole, 7-fluoro-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole, 7-fluoro-2-(1-methylethyl)-
- 4-fluoro-2-isopropyl-1h-benzo[d]imidazole
- SCHEMBL12309239
- 953071-94-8
- SCHEMBL4118985
- 7-fluoro-2-(1-methylethyl)-1h-benzimidazole
- 4-fluoro-2-propan-2-yl-1H-benzimidazole
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- Inchi： 1S/C10H11FN2/c1-6(2)10-12-8-5-3-4-7(11)9(8)13-10/h3-6H,1-2H3,(H,12,13)
- InChI Key： PHRLRWDNRNETNK-UHFFFAOYSA-N
- SMILES： FC1=CC=CC2=C1N=C(C(C)C)N2
Computed Properties
- Exact Mass: 178.091
- Monoisotopic Mass: 178.091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 184
- 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: 28.7A^2
1H-Benzimidazole, 7-fluoro-2-(1-methylethyl)- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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