Chemical ID: 4916687

c1ccc(cc1)C=Cc2cc(n[nH]2)CCc3[nH]c4ccccc4n3
Chemical ID:
4916687
Name [?]:
2-[2-(5-styryl-1H-pyrazol-3-yl)ethyl]-1H-benzoimidazole
SMILES [?]:
c1ccc(cc1)C=Cc2cc(n[nH]2)CCc3[nH]c4ccccc4n3
InChi [?]:
InChI=1/C20H18N4/c1-2-6-15(7-3-1)10-11-16-14-17(24-23-16)12-13-20-21-18-8-4-5-9-19(18)22-20/h1-11,14H,12-13H2,(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,22,7,8,14,15,10,4,9,11,18,23,16,17,24,13,12/E:(2,3)(4,5)(6,7)(8,9)(18,19)(21,22)/rA:24nCCCCCCCCCCCNNCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s10;d11;s9s12;s11;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;d16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6668
Area:533.029
Solvation:-2.65894
Coulombic:-27.8996
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:314.384
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.16
LogP (Chemaxon):4.31

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Descriptor Annotations

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