Chemical ID: 7123987

CC(C)Cn1c2ccccc2[nH+]c1c3cccs3
Chemical ID:
7123987
Name [?]:
1-isobutyl-2-(2-thienyl)-3H-benzoimidazole
SMILES [?]:
CC(C)Cn1c2ccccc2[nH+]c1c3cccs3
InChi [?]:
InChI=1/C15H16N2S/c1-11(2)10-17-13-7-4-3-6-12(13)16-15(17)14-8-5-9-18-14/h3-9,11H,10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,9,8,16,10,7,15,17,4,2,11,6,14,13,12,5,18/E:(1,2)/rA:18nCCCCNCCCCCCN+CCCCCS/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s5d12;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N2S+
All Atoms:35
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-19.1274
Area:427.471
Solvation:-29.8142
Coulombic:-7.05343
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:257.375
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.83
LogP (Chemaxon):4.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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