ChemDB: Chemical Search
Download
Chemical ID: 4916687
Chemical ID:
4916687
Name [?]:
2-[2-(5-styryl-1H-pyrazol-3-yl)ethyl]-1H-benzoimidazole
SMILES [?]:
c1ccc(cc1)C=Cc2cc(n[nH]2)CCc3[nH]c4ccccc4n3
InChi [?]:
InChI=1/C20H18N4/c1-2-6-15(7-3-1)10-11-16-14-17(24-23-16)12-13-20-21-18-8-4-5-9-19(18)22-20/h1-11,14H,12-13H2,(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,22,7,8,14,15,10,4,9,11,18,23,16,17,24,13,12/E:(2,3)(4,5)(6,7)(8,9)(18,19)(21,22)/rA:24nCCCCCCCCCCCNNCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s10;d11;s9s12;s11;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;d16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6668 |
Area: | 533.029 |
Solvation: | -2.65894 |
Coulombic: | -27.8996 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 314.384 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.16 |
LogP (Chemaxon): | 4.31 |
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 |
---|