Chemical ID: 6863987

Cc1cc(cc(c1)OCCn2c3ccccc3nc2CO)C
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

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Descriptor Annotations

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