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Chemical ID: 7118101
Chemical ID:
7118101
Name [?]:
2-benzyl-1,3-dihydrobenzoimidazole
SMILES [?]:
c1ccc(cc1)Cc2[nH]c3ccccc3[nH+]2
InChi [?]:
InChI=1/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,7,4,10,15,8,9,16/E:(2,3)(4,5)(6,7)(8,9)(12,13)(15,16)/rA:16nCCCCCCCCNCCCCCCN+/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;d8s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N2+ |
All Atoms: | 29 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.8768 |
Area: | 389.919 |
Solvation: | -30.6248 |
Coulombic: | -9.3083 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 209.266 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.24 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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