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Chemical ID: 5186218
Chemical ID:
5186218
Name [?]:
(3-benzyl-2-methyl-imidazol-4-yl)-(2-furyl)methanol
SMILES [?]:
Cc1ncc(n1Cc2ccccc2)C(c3ccco3)O
InChi [?]:
InChI=1/C16H16N2O2/c1-12-17-10-14(16(19)15-8-5-9-20-15)18(12)11-13-6-3-2-4-7-13/h2-10,16,19H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,17,9,13,16,18,4,7,2,8,5,15,14,3,6,20,19/E:(3,4)(6,7)/rA:20cCCNCCNCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s10;d11;d8s12;s5;s14;d15;s16;d17;s15s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.38704 |
Area: | 453.137 |
Solvation: | -3.94139 |
Coulombic: | -35.7356 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 268.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.68 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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