Chemical ID: 3967520

c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl
Chemical ID:
3967520
Name [?]:
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
SMILES [?]:
c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
InChi Info:
AuxInfo=1/0/N:2,1,20,19,15,14,5,22,12,9,17,3,6,21,18,4,23,11,7,25,8,24,16,13,10/rA:25cCCCCCCClClCOCCNCCNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s13;d14;s15;s13d16;s11;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl4N2O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.574
Area:600.782
Solvation:-2.44556
Coulombic:-22.8992
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:416.127
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.09
LogP (Chemaxon):5.53

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