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Chemical ID: 5392393
Chemical ID:
5392393
Name [?]:
N-[2-(1H-benzoimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)c2[nH]c3ccccc3n2)NC(=O)Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H16ClN3O/c22-15-11-9-14(10-12-15)13-20(26)23-17-6-2-1-5-16(17)21-24-18-7-3-4-8-19(18)25-21/h1-12H,13H2,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,6,3,10,13,21,25,22,24,19,20,23,5,4,9,14,17,7,26,16,8,15,18/E:(3,4)(7,8)(9,10)(11,12)(18,19)(24,25)/rA:26nCCCCCCCNCCCCCCNNCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;d7s14;s4;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16ClN3O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5983 |
Area: | 574.56 |
Solvation: | -2.76573 |
Coulombic: | -40.1406 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 361.824 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.67 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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