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Chemical ID: 5195480
Chemical ID:
5195480
Name [?]:
1-(2,4-difluorophenyl)-3-[(3,5-dimethylphenyl)methyl]imidazolidin-2-one
SMILES [?]:
Cc1cc(cc(c1)CN2CCN(C2=O)c3ccc(cc3F)F)C
InChi [?]:
InChI=1/C18H18F2N2O/c1-12-7-13(2)9-14(8-12)11-21-5-6-22(18(21)23)17-4-3-15(19)10-16(17)20/h3-4,7-10H,5-6,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,17,16,10,11,3,7,5,19,8,2,4,6,18,20,15,13,22,21,9,12,14/E:(1,2)(8,9)(12,13)/rA:23nCCCCCCCCNCCNCOCCCCCCFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;d16;s17;d18;d15s19;s20;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18F2N2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.61616 |
Area: | 500.884 |
Solvation: | -3.90595 |
Coulombic: | -33.4322 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 316.345 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.9 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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