Chemical ID: 5569251

c1ccc(cc1)C2=NCC(=O)N2
Chemical ID:
5569251
Name [?]:
2-phenyl-3,5-dihydroimidazol-4-one
SMILES [?]:
c1ccc(cc1)C2=NCC(=O)N2
InChi [?]:
InChI=1/C9H8N2O/c12-8-6-10-9(11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,4,10,7,8,12,11/E:(2,3)(4,5)/rA:12nCCCCCCCNCCON/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s7s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.06047
Area:322.858
Solvation:-2.01097
Coulombic:-27.4204
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:160.173
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.62
LogP (Chemaxon):0.82

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Descriptor Annotations

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