Cas no 1085-18-3 (6-chloro-2-(cyclohexylmethyl)-1h-benzimidazole)
1085-18-3 structure
Product Name:6-chloro-2-(cyclohexylmethyl)-1h-benzimidazole
CAS No:1085-18-3
MF:C14H17ClN2
MW:248.751182317734
CID:1186039
PubChem ID:833675
Update Time:2025-04-20
6-chloro-2-(cyclohexylmethyl)-1h-benzimidazole Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-2-(cyclohexylmethyl)-1h-benzimidazole
- SCHEMBL21034692
- 1085-18-3
- CHEMBL2262689
- AKOS014051154
- DTXSID50356807
-
- Inchi： 1S/C14H17ClN2/c15-11-6-7-12-13(9-11)17-14(16-12)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,17)
- InChI Key： KEVNMPJCTGLORO-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)NC(CC1CCCCC1)=N2
Computed Properties
- Exact Mass: 248.10821
- Monoisotopic Mass: 248.1080262g/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: 5.1
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.68
6-chloro-2-(cyclohexylmethyl)-1h-benzimidazole Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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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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