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Chemical ID: 6740748
Chemical ID:
6740748
Name [?]:
1-[(4-fluorophenyl)methyl]-2-methyl-3H-benzoimidazole
SMILES [?]:
Cc1[nH+]c2ccccc2n1Cc3ccc(cc3)F
InChi [?]:
InChI=1/C15H13FN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,13,17,14,16,11,2,12,15,4,9,18,3,10/E:(6,7)(8,9)/rA:18nCCN+CCCCCCNCCCCCCCF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FN2+ |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.1879 |
Area: | 404.021 |
Solvation: | -32.2885 |
Coulombic: | -7.19526 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 241.284 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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