Chemical ID: 4696377

Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
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

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Descriptor Annotations

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