ChemDB: Chemical Search
Download
Chemical ID: 6918065
Chemical ID:
6918065
Name [?]:
4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
SMILES [?]:
Cc1cccc(c1C)C(C)c2c[nH]cn2
InChi [?]:
InChI=1/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,10,4,3,5,12,14,2,7,9,6,11,13,15/rA:15cCCCCCCCCCCCCNCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s9;d11;s12;s13;s11d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2 |
All Atoms: | 31 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.77723 |
Area: | 379.475 |
Solvation: | -1.70965 |
Coulombic: | -16.5387 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 200.28 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.13 |
LogP (Chemaxon): | 3.27 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|