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503149-66-4 | 2-Methyl-1-piperidin-4-yl-5-trifluoromethyl-1H-benzoimidazole
CAS No: 503149-66-4 Catalog No: AG01EW7Q MDL No:
Product Description
Catalog Number:
AG01EW7Q
Chemical Name:
2-Methyl-1-piperidin-4-yl-5-trifluoromethyl-1H-benzoimidazole
CAS Number:
503149-66-4
Molecular Formula:
C14H16F3N3
Molecular Weight:
283.2921
IUPAC Name:
2-methyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
InChI:
InChI=1S/C14H16F3N3/c1-9-19-12-8-10(14(15,16)17)2-3-13(12)20(9)11-4-6-18-7-5-11/h2-3,8,11,18H,4-7H2,1H3
InChI Key:
UCMSHFFEOPNSNA-UHFFFAOYSA-N
SMILES:
Cc1nc2c(n1C1CCNCC1)ccc(c2)C(F)(F)F
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.13g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.298g/mol
Monoisotopic Mass:
283.13g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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