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Chemical ID: 7125025
Chemical ID:
7125025
Name [?]:
1-isopropyl-2-(2-thienyl)-3H-benzoimidazole
SMILES [?]:
CC(C)n1c2ccccc2[nH+]c1c3cccs3
InChi [?]:
InChI=1/C14H14N2S/c1-10(2)16-12-7-4-3-6-11(12)15-14(16)13-8-5-9-17-13/h3-10H,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,8,7,15,9,6,14,16,2,10,5,13,12,11,4,17/E:(1,2)/rA:17nCCCNCCCCCCN+CCCCCS/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s4d11;s12;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N2S+ |
All Atoms: | 32 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.4901 |
Area: | 412.182 |
Solvation: | -29.7946 |
Coulombic: | -6.60819 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 243.348 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.63 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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