ChemDB: Chemical Search
Download
Chemical ID: 4767277
Chemical ID:
4767277
Name [?]:
5-isobutyl-3-(1-naphthyl)imidazolidine-2,4-dione
SMILES [?]:
CC(C)CC1C(=O)N(C(=O)N1)c2cccc3c2cccc3
InChi [?]:
InChI=1/C17H18N2O2/c1-11(2)10-14-16(20)19(17(21)18-14)15-9-5-7-12-6-3-4-8-13(12)15/h3-9,11,14H,10H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,20,19,14,21,15,18,13,4,2,16,17,5,12,6,9,11,8,7,10/E:(1,2)/rA:21cCCCCCCONCONCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s5s9;s8;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.27383 |
Area: | 471.194 |
Solvation: | -2.50602 |
Coulombic: | -41.6252 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 282.337 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.31 |
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 |
---|