Chemical ID: 6684857

Cc1ccc(c(c1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)OC
Chemical ID:
6684857
Name [?]:
methyl 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-4-methyl-benzoate
SMILES [?]:
Cc1ccc(c(c1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)OC
InChi [?]:
InChI=1/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:16,17,1,14,21,3,4,7,15,2,5,6,8,18,11,10,13,9,19,12,20/E:(1,2)/rA:21cCCCCCCCCNCCONCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s10;d11;s8s11;s10;s10;s15;s15;s5;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.51108
Area:478.677
Solvation:-2.45584
Coulombic:-48.2405
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:288.342
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.8
LogP (Chemaxon):2.45

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