ChemDB: Chemical Search
Download
Chemical ID: 5833226
Chemical ID:
5833226
Name [?]:
N-[(4-dimethylaminophenyl)methyl]-1-phenyl-benzoimidazol-5-amine
SMILES [?]:
CN(C)c1ccc(cc1)CNc2ccc3c(c2)ncn3c4ccccc4
InChi [?]:
InChI=1/C22H22N4/c1-25(2)19-11-8-17(9-12-19)15-23-18-10-13-22-21(14-18)24-16-26(22)20-6-4-3-5-7-20/h3-14,16,23H,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,24,23,25,22,26,6,8,13,5,9,14,17,10,19,7,12,4,21,16,15,11,18,2,20/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:26nCNCCCCCCCCNCCCCCCNCNCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s16;d18;s15s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8279 |
Area: | 580.466 |
Solvation: | -2.68371 |
Coulombic: | -31.042 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.437 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.75 |
LogP (Chemaxon): | 4.82 |
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 |
---|