Chemical ID: 4176520

Cc1cccc(c1OCCCn2ccnc2)C
Chemical ID:
4176520
Name [?]:
1-[3-(2,6-dimethylphenoxy)propyl]imidazole
SMILES [?]:
Cc1cccc(c1OCCCn2ccnc2)C
InChi [?]:
InChI=1/C14H18N2O/c1-12-5-3-6-13(2)14(12)17-10-4-8-16-9-7-15-11-16/h3,5-7,9,11H,4,8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,4,10,3,5,14,11,13,9,16,2,6,7,15,12,8/E:(1,2)(5,6)(12,13)/rA:17nCCCCCCCOCCCNCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;d13;s14;s12d15;s6;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.06767
Area:438.252
Solvation:-2.88861
Coulombic:-18.4675
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:230.306
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.8
LogP (Chemaxon):2.6

Name Annotations

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Descriptor Annotations

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