Home Other Building Blocks 2-(pyrrolidin-2-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazole dihydrochloride

2-(pyrrolidin-2-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazole dihydrochloride

CAS No.:
1315366-83-6
Catalog Number:
AG01AJAT
Molecular Formula:
C14H16Cl2F3N3
Molecular Weight:
354.1981
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Product Description
Catalog Number:
AG01AJAT
Chemical Name:
2-(pyrrolidin-2-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazole dihydrochloride
CAS Number:
1315366-83-6
Molecular Formula:
C14H16Cl2F3N3
Molecular Weight:
354.1981
MDL Number:
MFCD19382195
IUPAC Name:
2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;dihydrochloride
InChI:
InChI=1S/C14H14F3N3.2ClH/c15-14(16,17)10-4-1-3-9(7-10)12-8-19-13(20-12)11-5-2-6-18-11;;/h1,3-4,7-8,11,18H,2,5-6H2,(H,19,20);2*1H
InChI Key:
ICJHJOIKVQDKPD-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)c1c[nH]c(n1)C1CCCN1)(F)F.Cl.Cl
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.067g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
354.198g/mol
Monoisotopic Mass:
353.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties