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Chemical ID: 4093786

Chemical ID:

4093786

Name [?]:

1-amino-4-hydroxy-5-(p-tolylamino)-3H-imidazol-2-one

SMILES [?]:

Cc1ccc(cc1)Nc2c([nH]c(=O)n2N)O

InChi [?]:

InChI=1/C10H12N4O2/c1-6-2-4-7(5-3-6)12-8-9(15)13-10(16)14(8)11/h2-5,12,15H,11H2,1H3,(H,13,16)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,2,5,9,10,12,15,8,11,14,16,13/E:(2,3)(4,5)/rA:16nCCCCCCCNCCNCONNO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s9s12;s14;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₂N₄O₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	6.88966
Area:	387.905
Solvation:	-2.80798
Coulombic:	-68.4832

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	220.228
H-Bond Donors:	4
H-Bond Acceptors:	4
XLogP:	1.4
LogP (Chemaxon):	1.04

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value