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Chemical ID: 6190206
Chemical ID:
6190206
Name [?]:
N-[4-(1H-benzoimidazol-2-yl)phenyl]-3-chloro-benzamide
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)NC(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C20H14ClN3O/c21-15-5-3-4-14(12-15)20(25)22-16-10-8-13(9-11-16)19-23-17-6-1-2-7-18(17)24-19/h1-12H,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,6,3,11,15,12,14,24,10,19,23,13,5,4,8,17,25,16,7,9,18/E:(1,2)(6,7)(8,9)(10,11)(17,18)(23,24)/rA:25nCCCCCCNCNCCCCCCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14ClN3O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4765 |
Area: | 561.202 |
Solvation: | -2.55359 |
Coulombic: | -40.9959 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 347.797 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.86 |
LogP (Chemaxon): | 5.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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