Chemical ID: 6761941

c1ccc(cc1)C2=[NH+]C(C(=O)N2)(C(F)(F)F)Nc3cccc[nH+]3
Chemical ID:
6761941
Name [?]:
2-phenyl-5-(1H-pyridin-2-ylamino)-5-(trifluoromethyl)-1,3-dihydroimidazol-4-one
SMILES [?]:
c1ccc(cc1)C2=[NH+]C(C(=O)N2)(C(F)(F)F)Nc3cccc[nH+]3
InChi [?]:
InChI=1/C15H11F3N4O/c16-15(17,18)14(21-11-8-4-5-9-19-11)13(23)20-12(22-14)10-6-2-1-3-7-10/h1-9H,(H,19,21)(H,20,22,23)/p+2
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,22,4,18,7,10,9,13,14,15,16,23,12,17,8,11/E:(2,3)(6,7)(16,17,18)/rA:23cCCCCCCCN+CCONCFFFNCCCCCN+/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s7s10;s9;s13;s13;s13;s9;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13F3N4O+2
All Atoms:36
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:-90.6064
Area:465.567
Solvation:-102.246
Coulombic:12.0191
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:322.285
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.44
LogP (Chemaxon):3.79

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