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Chemical ID: 5463778
Chemical ID:
5463778
Name [?]:
1-[(2,6-dichlorophenyl)methyl]-2-phenyl-benzoimidazole
SMILES [?]:
c1ccc(cc1)c2nc3ccccc3n2Cc4c(cccc4Cl)Cl
InChi [?]:
InChI=1/C20H14Cl2N2/c21-16-9-6-10-17(22)15(16)13-24-19-12-5-4-11-18(19)23-20(24)14-7-2-1-3-8-14/h1-12H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,20,3,5,19,21,10,13,16,4,17,18,22,9,14,7,24,23,8,15/E:(2,3)(7,8)(9,10)(16,17)(21,22)/rA:24nCCCCCCCNCCCCCCNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s15;s16;s17;d18;s19;d20;d17s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14Cl2N2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3672 |
Area: | 481.375 |
Solvation: | -1.66722 |
Coulombic: | -17.0939 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 353.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.53 |
LogP (Chemaxon): | 6.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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