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Chemical ID: 6863987
Chemical ID:
6863987
Name [?]:
[1-[2-(3,5-dimethylphenoxy)ethyl]benzoimidazol-2-yl]methanol
SMILES [?]:
Cc1cc(cc(c1)OCCn2c3ccccc3nc2CO)C
InChi [?]:
InChI=1/C18H20N2O2/c1-13-9-14(2)11-15(10-13)22-8-7-20-17-6-4-3-5-16(17)19-18(20)12-21/h3-6,9-11,21H,7-8,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,15,14,16,13,10,9,3,7,5,20,2,4,6,17,12,19,18,11,21,8/E:(1,2)(10,11)(13,14)/rA:22nCCCCCCCOCCNCCCCCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s11d18;s19;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O2 |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1317 |
Area: | 511.701 |
Solvation: | -3.66083 |
Coulombic: | -38.2022 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.42 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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