Chemical ID: 6705825

c1ccc2c(c1)[nH]c([nH+]2)c3[nH]c4ccccc4n3
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

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