Chemical ID: 4179585

Cc1ccc(cc1C)OCCn2ccnc2
Chemical ID:
4179585
Name [?]:
1-[2-(3,4-dimethylphenoxy)ethyl]imidazole
SMILES [?]:
Cc1ccc(cc1C)OCCn2ccnc2
InChi [?]:
InChI=1/C13H16N2O/c1-11-3-4-13(9-12(11)2)16-8-7-15-6-5-14-10-15/h3-6,9-10H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,4,14,13,11,10,6,16,2,7,5,15,12,9/rA:16nCCCCCCCCOCCNCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;s12;d13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.79806
Area:418.349
Solvation:-2.66068
Coulombic:-18.6835
Bond Count [?]
All:17
Single:12
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:216.279
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.87
LogP (Chemaxon):2.55

Name Annotations

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Descriptor Annotations

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