Chemical ID: 7125025

CC(C)n1c2ccccc2[nH+]c1c3cccs3
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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