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Chemical ID: 6698582
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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