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Chemical ID: 7005166
Chemical ID:
7005166
Name [?]:
1-[(4-fluorophenyl)methyl]-2-phenyl-benzoimidazole
SMILES [?]:
c1ccc(cc1)c2nc3ccccc3n2Cc4ccc(cc4)F
InChi [?]:
InChI=1/C20H15FN2/c21-17-12-10-15(11-13-17)14-23-19-9-5-4-8-18(19)22-20(23)16-6-2-1-3-7-16/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,18,22,19,21,16,17,4,20,9,14,7,23,8,15/E:(2,3)(6,7)(10,11)(12,13)/rA:23nCCCCCCCNCCCCCCNCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15FN2 |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21691 |
Area: | 474.682 |
Solvation: | -2.65015 |
Coulombic: | -19.8381 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.345 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.44 |
LogP (Chemaxon): | 6.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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