Chemical ID: 4179267

Cc1ccc(c(c1)OCCn2ccnc2)C
Chemical ID:
4179267
Name [?]:
1-[2-(2,5-dimethylphenoxy)ethyl]imidazole
SMILES [?]:
Cc1ccc(c(c1)OCCn2ccnc2)C
InChi [?]:
InChI=1/C13H16N2O/c1-11-3-4-12(2)13(9-11)16-8-7-15-6-5-14-10-15/h3-6,9-10H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,3,4,13,12,10,9,7,15,2,5,6,14,11,8/rA:16nCCCCCCCOCCNCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s13;s11d14;s5;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.80855
Area:416.084
Solvation:-2.59355
Coulombic:-18.8502
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:2.66
LogP (Chemaxon):2.55

Name Annotations

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Descriptor Annotations

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