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Chemical ID: 6702181
Chemical ID:
6702181
Name [?]:
N-[4-(1,3-dihydrobenzoimidazol-2-yl)phenyl]-2-fluoro-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)c3[nH]c4ccccc4[nH+]3)F
InChi [?]:
InChI=1/C20H14FN3O/c21-16-6-2-1-5-15(16)20(25)22-14-11-9-13(10-12-14)19-23-17-7-3-4-8-18(17)24-19/h1-12H,(H,22,25)(H,23,24)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,20,21,6,3,19,22,12,14,11,15,13,10,5,4,18,23,16,7,25,9,17,24,8/E:(3,4)(7,8)(9,10)(11,12)(17,18)(23,24)/rA:25nCCCCCCCONCCCCCCCNCCCCCCN+F/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;d19;s20;d21;d18s22;d16s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15FN3O+ |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.7016 |
Area: | 529.98 |
Solvation: | -32.9511 |
Coulombic: | -33.4587 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.351 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.55 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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