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Chemical ID: 6705825
Chemical ID:
6705825
Name [?]:
2-(1,3-dihydrobenzoimidazol-2-yl)-1H-benzoimidazole
SMILES [?]:
c1ccc2c(c1)[nH]c([nH+]2)c3[nH]c4ccccc4n3
InChi [?]:
InChI=1/C14H10N4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H,(H,15,16)(H,17,18)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,14,15,6,3,13,16,5,4,12,17,8,10,7,9,11,18/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)/gE:(1,2)/rA:18nCCCCCCNCN+CNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;s11;s12;d13;s14;d15;d12s16;d10s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11N4+ |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.647 |
Area: | 409.83 |
Solvation: | -30.8928 |
Coulombic: | -27.6535 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 235.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.73 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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