Chemical ID: 5195477

CC(C)(C)c1ccc(cc1)CN2CCN(C2=O)c3ccc(cc3F)F
Chemical ID:
5195477
Name [?]:
1-(2,4-difluorophenyl)-3-[(4-tert-butylphenyl)methyl]imidazolidin-2-one
SMILES [?]:
CC(C)(C)c1ccc(cc1)CN2CCN(C2=O)c3ccc(cc3F)F
InChi [?]:
InChI=1/C20H22F2N2O/c1-20(2,3)15-6-4-14(5-7-15)13-23-10-11-24(19(23)25)18-9-8-16(21)12-17(18)22/h4-9,12H,10-11,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,9,6,10,20,19,13,14,22,11,8,5,21,23,18,16,2,25,24,12,15,17/E:(1,2,3)(4,5)(6,7)/rA:25nCCCCCCCCCCCNCCNCOCCCCCCFF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s12s15;d16;s15;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22F2N2O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.58131
Area:539.281
Solvation:-3.90072
Coulombic:-34.5478
Bond Count [?]
All:27
Single:20
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:344.398
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.84
LogP (Chemaxon):4.87

Name Annotations

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Descriptor Annotations

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