Chemical ID: 6622846

c1ccc2c(c1)[nH]c[nH+]2
Chemical ID:
6622846
Name [?]:
1,3-dihydrobenzoimidazole
SMILES [?]:
c1ccc2c(c1)[nH]c[nH+]2
InChi [?]:
InChI=1/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,4,7,9/E:(1,2)(3,4)(6,7)(8,9)/rA:9nCCCCCCNCN+/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7N2+
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:-26.3332
Area:258.429
Solvation:-32.7939
Coulombic:-5.41237
Bond Count [?]
All:10
Single:6
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:119.144
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.44
LogP (Chemaxon):1.55

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Descriptor Annotations

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