Chemical ID: 4606899

CC1(C(N(C(=O)N1C)c2cccc3c2cccc3)NC(=O)Nc4ccc(cc4)Cl)C
Chemical ID:
4606899
Name [?]:
3-(4-chlorophenyl)-1-[1,5,5-trimethyl-3-(1-naphthyl)-2-oxo-imidazolidin-4-yl]-urea
SMILES [?]:
CC1(C(N(C(=O)N1C)c2cccc3c2cccc3)NC(=O)Nc4ccc(cc4)Cl)C
InChi [?]:
InChI=1/C23H23ClN4O2/c1-23(2)20(26-21(29)25-17-13-11-16(24)12-14-17)28(22(30)27(23)3)19-10-6-8-15-7-4-5-9-18(15)19/h4-14,20H,1-3H3,(H2,25,26,29)
InChi Info:
AuxInfo=1/1/N:1,30,8,17,16,11,18,12,15,10,25,27,24,28,13,26,23,14,9,3,20,5,2,29,22,19,7,4,21,6/E:(1,2)(11,12)(13,14)/rA:30cCCCNCONCCCCCCCCCCCNCONCCCCCCClC/rB:s1;s2;s3;s4;d5;s2s5;s7;s4;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s3;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23ClN4O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.3454
Area:628.622
Solvation:-3.37016
Coulombic:-62.9802
Bond Count [?]
All:33
Single:23
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:422.907
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.64
LogP (Chemaxon):4.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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