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Chemical ID: 6510916

Chemical ID:

6510916

Name [?]:

1,3-bis(2-ethyl-4-methyl-imidazol-1-yl)propane-1,3-dione

SMILES [?]:

CCc1nc(cn1C(=O)CC(=O)n2cc(nc2CC)C)C

InChi [?]:

InChI=1/C15H20N4O2/c1-5-12-16-10(3)8-18(12)14(20)7-15(21)19-9-11(4)17-13(19)6-2/h8-9H,5-7H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,19,21,20,2,18,10,6,14,5,15,3,17,8,11,4,16,7,13,9,12/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)/rA:21nCCCNCCNCOCCONCCNCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s7;d8;s8;s10;d11;s11;s13;d14;s15;s13d16;s17;s18;s15;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₀N₄O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	7.39217
Area:	495.918
Solvation:	-5.00578
Coulombic:	-34.5042

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	288.345
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	0.6
LogP (Chemaxon):	0.75

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