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Chemical ID: 7059644
Chemical ID:
7059644
Name [?]:
N-[1-benzyl-2-(trifluoromethyl)benzoimidazol-5-yl]acetamide
SMILES [?]:
CC(=O)Nc1ccc2c(c1)nc(n2Cc3ccccc3)C(F)(F)F
InChi [?]:
InChI=1/C17H14F3N3O/c1-11(24)21-13-7-8-15-14(9-13)22-16(17(18,19)20)23(15)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,6,7,10,14,2,15,5,9,8,12,21,22,23,24,4,11,13,3/E:(3,4)(5,6)(18,19,20)/rA:24nCCONCCCCCCNCNCCCCCCCCFFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;d11;s8s12;s13;s14;s15;d16;s17;d18;d15s19;s12;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14F3N3O |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19638 |
Area: | 487.472 |
Solvation: | -2.99042 |
Coulombic: | -53.9223 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 333.308 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.52 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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