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Chemical ID: 5516251
Chemical ID:
5516251
Name [?]:
2-[5-(2-furyl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzoimidazole
SMILES [?]:
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
InChi [?]:
InChI=1/C20H14N4O/c1-2-7-13(8-3-1)17-18(16-11-6-12-25-16)23-24-19(17)20-21-14-9-4-5-10-15(14)22-20/h1-12H,(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,17,23,3,5,15,18,22,24,4,14,19,21,7,8,11,12,13,20,9,10,25/E:(2,3)(4,5)(7,8)(9,10)(14,15)(21,22)/rA:25nCCCCCCCCNNCCNCCCCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s11;s12;s13;s14;d15;s16;d17;d14s18;d12s19;s8;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14N4O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.77991 |
Area: | 510.368 |
Solvation: | -2.97928 |
Coulombic: | -37.3002 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.352 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.47 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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