Cas no 7118-63-0 (5-chloro-2-(phenylmethyl)-1H-Benzimidazole)
7118-63-0 structure
Product Name:5-chloro-2-(phenylmethyl)-1H-Benzimidazole
CAS No:7118-63-0
MF:C14H11ClN2
MW:242.703541994095
CID:545927
PubChem ID:12948783
Update Time:2025-04-19
5-chloro-2-(phenylmethyl)-1H-Benzimidazole Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole, 5-chloro-2-(phenylmethyl)-
- AKOS002678214
- SCHEMBL4164831
- CHEMBL3769856
- 2-benzyl-6-chloro-1H-benzo[d]imidazole
- 7118-63-0
- 2-benzyl-5-chloro-1H-benzimidazole
- 2-benzyl-5-chloro-1H-1,3-benzodiazole
- 5-chloro-2-(phenylmethyl)-1H-Benzimidazole
-
- Inchi： 1S/C14H11ClN2/c15-11-6-7-12-13(9-11)17-14(16-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
- InChI Key： GOXBDVDMFJVVNM-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)NC(CC1C=CC=CC=1)=N2
Computed Properties
- Exact Mass: 242.06123
- Monoisotopic Mass: 242.0610761g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 253
- 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: 4.1
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.68
5-chloro-2-(phenylmethyl)-1H-Benzimidazole Related Literature
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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