Chemical ID: 6698582

c1ccc2c(c1)[nH]c([nH+]2)c3ccco3
Chemical ID:
6698582
Name [?]:
2-(2-furyl)-1,3-dihydrobenzoimidazole
SMILES [?]:
c1ccc2c(c1)[nH]c([nH+]2)c3ccco3
InChi [?]:
InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,12,6,3,11,13,5,4,10,8,7,9,14/E:(1,2)(4,5)(8,9)(12,13)/rA:14nCCCCCCNCN+CCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9N2O+
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-23.1203
Area:348.442
Solvation:-31.8313
Coulombic:-15.6536
Bond Count [?]
All:16
Single:10
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:185.202
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.12
LogP (Chemaxon):2.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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