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Chemical ID: 6761940
Chemical ID:
6761940
Name [?]:
2-phenyl-5-(2-pyridylamino)-5-(trifluoromethyl)-1,3-dihydroimidazol-4-one
SMILES [?]:
c1ccc(cc1)C2=[NH+]C(C(=O)N2)(C(F)(F)F)Nc3ccccn3
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+1
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: | C15H12F3N4O+ |
All Atoms: | 35 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -22.0673 |
Area: | 465.565 |
Solvation: | -33.7065 |
Coulombic: | -43.3985 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 321.277 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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