Home Halogens 5-chloro-2-(piperidin-2-yl)-1H-1,3-benzodiazole

5-chloro-2-(piperidin-2-yl)-1H-1,3-benzodiazole

CAS No.:
1152556-27-8
Catalog Number:
AG01C1M6
Molecular Formula:
C12H14ClN3
Molecular Weight:
235.7127
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Product Description
Catalog Number:
AG01C1M6
Chemical Name:
5-chloro-2-(piperidin-2-yl)-1H-1,3-benzodiazole
CAS Number:
1152556-27-8
Molecular Formula:
C12H14ClN3
Molecular Weight:
235.7127
MDL Number:
MFCD10690044
IUPAC Name:
6-chloro-2-piperidin-2-yl-1H-benzimidazole
InChI:
InChI=1S/C12H14ClN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2,(H,15,16)
InChI Key:
WKAVCCNOWLMUFI-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc([nH]2)C1CCCCN1
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.088g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.715g/mol
Monoisotopic Mass:
235.088g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties