ChemicalDetail: Details for an Individual Chemical

Download

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value