Chemical ID: 5000801

c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
Chemical ID:
5000801
Name [?]:
1-(5-phenyl-2H-pyrazol-3-yl)benzoimidazole
SMILES [?]:
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
InChi [?]:
InChI=1/C16H12N4/c1-2-6-12(7-3-1)14-10-16(19-18-14)20-11-17-13-8-4-5-9-15(13)20/h1-11H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,18,3,5,20,17,8,13,4,15,7,16,9,14,11,10,12/E:(2,3)(6,7)/rA:20nCCCCCCCCCNNNCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;d13;s14;s12s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.87602
Area:448.998
Solvation:-2.34892
Coulombic:-23.1195
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:260.293
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.31
LogP (Chemaxon):3.56

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Descriptor Annotations

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