Chemical ID: 4179147

Cc1ccc(c(c1)OCCCCn2ccnc2)C
Chemical ID:
4179147
Name [?]:
1-[4-(2,5-dimethylphenoxy)butyl]imidazole
SMILES [?]:
Cc1ccc(c(c1)OCCCCn2ccnc2)C
InChi [?]:
InChI=1/C15H20N2O/c1-13-5-6-14(2)15(11-13)18-10-4-3-8-17-9-7-16-12-17/h5-7,9,11-12H,3-4,8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,11,10,3,4,15,12,14,9,7,17,2,5,6,16,13,8/rA:18nCCCCCCCOCCCCNCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;d14;s15;s13d16;s5;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.75958
Area:469.514
Solvation:-2.97828
Coulombic:-18.4502
Bond Count [?]
All:19
Single:14
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:244.332
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.37
LogP (Chemaxon):3.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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