Chemical ID: 6458907

CC(n1ccnc1)OCCCc2ccccc2
Chemical ID:
6458907
Name [?]:
1-[1-(3-phenylpropoxy)ethyl]imidazole
SMILES [?]:
CC(n1ccnc1)OCCCc2ccccc2
InChi [?]:
InChI=1/C14H18N2O/c1-13(16-10-9-15-12-16)17-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,10,13,17,11,5,4,9,7,2,12,6,3,8/E:(3,4)(6,7)/rA:17cCCNCCNCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s2;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.96225
Area:451.54
Solvation:-3.32625
Coulombic:-19.471
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:230.306
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.9
LogP (Chemaxon):2.64

Name Annotations

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Descriptor Annotations

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