Chemical ID: 5516251

c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
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

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Descriptor Annotations

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