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Chemical ID: 5755683
Chemical ID:
5755683
Name [?]:
N-[4-(1H-benzoimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
SMILES [?]:
CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)c3[nH]c4ccccc4n3
InChi [?]:
InChI=1/C25H24N4O2/c1-25(2,3)24(31)27-19-14-10-17(11-15-19)23(30)26-18-12-8-16(9-13-18)22-28-20-6-4-5-7-21(20)29-22/h4-15H,1-3H3,(H,26,30)(H,27,31)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,3,4,27,28,26,29,19,21,10,12,18,22,9,13,20,11,17,8,25,30,23,14,5,2,16,7,24,31,15,6/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(20,21)(28,29)/rA:31nCCCCCONCCCCCCCONCCCCCCCNCCCCCCN/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;d23s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N4O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7385 |
Area: | 660.945 |
Solvation: | -3.78517 |
Coulombic: | -60.4014 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 412.484 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.24 |
LogP (Chemaxon): | 6.08 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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