Chemical ID: 5138255

c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=O)N3
Chemical ID:
5138255
Name [?]:
2-(1H-benzoimidazol-2-ylamino)-1H-imidazole-4,5-dione
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=O)N3
InChi [?]:
InChI=1/C10H7N5O2/c16-7-8(17)14-10(13-7)15-9-11-5-3-1-2-4-6(5)12-9/h1-4H,(H3,11,12,13,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,13,15,8,11,7,9,12,17,10,14,16/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)(16,17)/rA:17nCCCCCCNCNNCNCOCON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;d11;s12;d13;s13;d15;s11s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7N5O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.24364
Area:394.082
Solvation:-2.6084
Coulombic:-67.8498
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:229.195
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.27
LogP (Chemaxon):1.57

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Descriptor Annotations

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