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Chemical ID: 4444519
Chemical ID:
4444519
Name [?]:
N,N-dimethyl-4-[1-(1-phenylethyl)benzoimidazol-2-yl]-aniline
SMILES [?]:
CC(c1ccccc1)n2c3ccccc3nc2c4ccc(cc4)N(C)C
InChi [?]:
InChI=1/C23H23N3/c1-17(18-9-5-4-6-10-18)26-22-12-8-7-11-21(22)24-23(26)19-13-15-20(16-14-19)25(2)3/h4-17H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,26,6,5,7,13,12,4,8,14,11,19,23,20,22,2,3,18,21,15,10,17,16,24,9/E:(2,3)(5,6)(9,10)(13,14)(15,16)/rA:26cCCCCCCCCNCCCCCCNCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;d11;s12;d13;d10s14;s15;s9d16;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23N3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0485 |
Area: | 534.763 |
Solvation: | -2.32061 |
Coulombic: | -22.186 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 341.449 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.02 |
LogP (Chemaxon): | 6.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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