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Chemical ID: 5646719
Chemical ID:
5646719
Name [?]:
3-(3-chlorophenyl)-1-[3-(4-chlorophenyl)-1,5,5-trimethyl-2-oxo-imidazolidin-4-yl]-urea
SMILES [?]:
CC1(C(N(C(=O)N1C)c2ccc(cc2)Cl)NC(=O)Nc3cccc(c3)Cl)C
InChi [?]:
InChI=1/C19H20Cl2N4O2/c1-19(2)16(23-17(26)22-14-6-4-5-13(21)11-14)25(18(27)24(19)3)15-9-7-12(20)8-10-15/h4-11,16H,1-3H3,(H2,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,27,8,22,23,21,11,13,10,14,25,12,24,20,9,3,17,5,2,15,26,19,16,7,4,18,6/E:(1,2)(7,8)(9,10)/rA:27cCCCNCONCCCCCCCClNCONCCCCCCClC/rB:s1;s2;s3;s4;d5;s2s5;s7;s4;s9;d10;s11;d12;d9s13;s12;s3;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20Cl2N4O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5386 |
Area: | 601.591 |
Solvation: | -2.50122 |
Coulombic: | -62.9514 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 407.293 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.99 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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