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Chemical ID: 6131214
Chemical ID:
6131214
Name [?]:
N-[3-(1-benzylbenzoimidazol-2-yl)propyl]-4-chloro-benzamide
SMILES [?]:
c1ccc(cc1)Cn2c3ccccc3nc2CCCNC(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C24H22ClN3O/c25-20-14-12-19(13-15-20)24(29)26-16-6-11-23-27-21-9-4-5-10-22(21)28(23)17-18-7-2-1-3-8-18/h1-5,7-10,12-15H,6,11,16-17H2,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,18,3,5,13,10,17,24,28,25,27,19,7,4,23,26,14,9,16,21,29,20,15,8,22/E:(2,3)(7,8)(12,13)(14,15)/rA:29nCCCCCCCNCCCCCCNCCCCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8d15;s16;s17;s18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22ClN3O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2076 |
Area: | 653.794 |
Solvation: | -3.13728 |
Coulombic: | -36.9103 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 403.904 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.59 |
LogP (Chemaxon): | 5.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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