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Chemical ID: 4696377
Chemical ID:
4696377
Name [?]:
2-[1-[(4-fluorophenyl)methyl]-2-methyl-imidazol-4-yl]quinoline
SMILES [?]:
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
InChi [?]:
InChI=1/C20H16FN3/c1-14-22-20(13-24(14)12-15-6-9-17(21)10-7-15)19-11-8-16-4-2-3-5-18(16)23-19/h2-11,13H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,19,22,9,13,17,10,12,16,7,5,2,8,18,11,23,15,4,14,3,24,6/E:(6,7)(9,10)/rA:24nCCNCCNCCCCCCCFCCCCCCCCCN/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s4;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16FN3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90769 |
Area: | 513.615 |
Solvation: | -2.93269 |
Coulombic: | -22.7652 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 317.36 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.83 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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