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Chemical ID: 7185521
Chemical ID:
7185521
Name [?]:
2-benzyl-1-[3-(3-methylphenoxy)propyl]-3H-benzoimidazole
SMILES [?]:
Cc1cccc(c1)OCCCn2c3ccccc3[nH+]c2Cc4ccccc4
InChi [?]:
InChI=1/C24H24N2O/c1-19-9-7-12-21(17-19)27-16-8-15-26-23-14-6-5-13-22(23)25-24(26)18-20-10-3-2-4-11-20/h2-7,9-14,17H,8,15-16,18H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,25,24,26,16,15,4,10,3,23,27,5,17,14,11,9,7,21,2,22,6,18,13,20,19,12,8/E:(3,4)(10,11)/rA:27nCCCCCCCOCCCNCCCCCCN+CCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s12d19;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25N2O+ |
All Atoms: | 52 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -16.7365 |
Area: | 602.816 |
Solvation: | -31.8069 |
Coulombic: | -14.1007 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.468 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.06 |
LogP (Chemaxon): | 6.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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