Chemical ID: 4951729

c1ccc2c(c1)[nH]c(=N)[nH]2
Chemical ID:
4951729
Name [?]:
1,3-dihydrobenzoimidazol-2-imine
SMILES [?]:
c1ccc2c(c1)[nH]c(=N)[nH]2
InChi [?]:
InChI=1/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,9,7,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10nCCCCCCNCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7N3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.45273
Area:278.826
Solvation:-1.51791
Coulombic:-34.5507
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:133.151
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.15
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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