Chemical ID: 6419390

c1ccc(cc1)CC2(C(=O)NC(=O)N2)c3cccnc3
Chemical ID:
6419390
Name [?]:
5-benzyl-5-(3-pyridyl)imidazolidine-2,4-dione
SMILES [?]:
c1ccc(cc1)CC2(C(=O)NC(=O)N2)c3cccnc3
InChi [?]:
InChI=1/C15H13N3O2/c19-13-15(18-14(20)17-13,12-7-4-8-16-10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,3,5,16,18,7,20,4,15,9,12,8,19,11,14,10,13/E:(2,3)(5,6)/rA:20cCCCCCCCCCONCONCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s8s12;s8;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.63796
Area:428.943
Solvation:-3.08561
Coulombic:-49.4571
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:267.283
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.96
LogP (Chemaxon):1.2

Name Annotations

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Descriptor Annotations

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