Chemical ID: 5755683

CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)c3[nH]c4ccccc4n3
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

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Descriptor Annotations

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