ChemDB: Chemical Search
Download
Chemical ID: 5186302
Chemical ID:
5186302
Name [?]:
2-methyl-1-(1-phenylethyl)imidazole
SMILES [?]:
Cc1nccn1C(C)c2ccccc2
InChi [?]:
InChI=1/C12H14N2/c1-10(12-6-4-3-5-7-12)14-9-8-13-11(14)2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:8,1,12,11,13,10,14,4,5,7,2,9,3,6/E:(4,5)(6,7)/rA:14cCCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.20295 |
Area: | 361.48 |
Solvation: | -1.83405 |
Coulombic: | -11.4966 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 186.253 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.47 |
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 |
---|