ChemDB: Chemical Search
Download
Chemical ID: 4707584
Chemical ID:
4707584
Name [?]:
4,5-diphenyl-2-(p-tolylmethylsulfanyl)-1H-imidazole
SMILES [?]:
Cc1ccc(cc1)CSc2[nH]c(c(n2)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C23H20N2S/c1-17-12-14-18(15-13-17)16-26-23-24-21(19-8-4-2-5-9-19)22(25-23)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,18,24,17,19,23,25,16,20,22,26,3,7,4,6,8,2,5,15,21,13,12,10,14,11,9/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(19,20)(21,22)(24,25)/rA:26nCCCCCCCCSCNCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;d10s13;s13;s15;d16;s17;d18;d15s19;s12;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1101 |
Area: | 588.105 |
Solvation: | -1.59257 |
Coulombic: | -23.4733 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.484 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.81 |
LogP (Chemaxon): | 6.99 |
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 |
---|