Chemical ID: 4705881

CC1=NC(N=C1c2ccccc2OC)c3c(cc(cc3Cl)Cl)Cl
Chemical ID:
4705881
Name [?]:
4-(2-methoxyphenyl)-5-methyl-2-(2,4,6-trichlorophenyl)-2H-imidazole
SMILES [?]:
CC1=NC(N=C1c2ccccc2OC)c3c(cc(cc3Cl)Cl)Cl
InChi [?]:
InChI=1/C17H13Cl3N2O/c1-9-16(11-5-3-4-6-14(11)23-2)22-17(21-9)15-12(19)7-10(18)8-13(15)20/h3-8,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,9,10,8,11,17,19,2,18,7,16,20,12,15,6,4,22,23,21,3,5,13/E:(7,8)(12,13)(19,20)/rA:23cCCNCNCCCCCCCOCCCCCCCClClCl/rB:s1;d2;s3;s4;s2d5;s6;s7;d8;s9;d10;d7s11;s12;s13;s4;s15;d16;s17;d18;d15s19;s20;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13Cl3N2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.3032
Area:530.628
Solvation:-2.96246
Coulombic:-21.1243
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:367.656
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.34
LogP (Chemaxon):6.24

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Descriptor Annotations

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