Chemical ID: 5646719

CC1(C(N(C(=O)N1C)c2ccc(cc2)Cl)NC(=O)Nc3cccc(c3)Cl)C
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

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Descriptor Annotations

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