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Chemical ID: 7362371
Chemical ID:
7362371
Name [?]:
4-(1-benzyl-5-chloro-benzoimidazol-2-yl)-N,N-dimethyl-aniline
SMILES [?]:
CN(C)c1ccc(cc1)c2nc3cc(ccc3n2Cc4ccccc4)Cl
InChi [?]:
InChI=1/C22H20ClN3/c1-25(2)19-11-8-17(9-12-19)22-24-20-14-18(23)10-13-21(20)26(22)15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,23,22,24,21,25,6,8,15,5,9,16,13,19,20,7,14,4,12,17,10,26,11,2,18/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:26nCNCCCCCCCCNCCCCCCNCCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s18;s19;s20;d21;s22;d23;d20s24;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20ClN3 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8574 |
Area: | 567.402 |
Solvation: | -2.32766 |
Coulombic: | -21.7692 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 361.867 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.11 |
LogP (Chemaxon): | 6.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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