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Chemical ID: 4705881
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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