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Chemical ID: 4219105
Chemical ID:
4219105
Name [?]:
5,6-dimethoxy-2-methyl-1H-benzoimidazole
SMILES [?]:
Cc1[nH]c2cc(c(cc2n1)OC)OC
InChi [?]:
InChI=1/C10H12N2O2/c1-6-11-7-4-9(13-2)10(14-3)5-8(7)12-6/h4-5H,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,14,8,5,2,9,4,7,6,10,3,11,13/E:(2,3)(4,5)(7,8)(9,10)(11,12)(13,14)/rA:14nCCNCCCCCCNOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;d2s9;s7;s11;s6;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.45406 |
Area: | 354.832 |
Solvation: | -4.41675 |
Coulombic: | -28.6323 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.215 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.12 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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