6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole

C15H10F4N2 — CID 164670426

IUPAC6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole
SMILESCc1ccc(-n2c(C(F)(F)F)nc3ccc(F)cc32)cc1
InChIInChI=1S/C15H10F4N2/c1-9-2-5-11(6-3-9)21-13-8-10(16)4-7-12(13)20-14(21)15(17,18)19/h2-8H,1H3
InChIKeyGTRGGAITNXWIRD-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.49
Rot. Bonds1

About 6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole

6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole (PubChem CID 164670426) has the molecular formula C15H10F4N2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole
PubChem CID164670426
Molecular FormulaC15H10F4N2
Molecular Weight294.25 g/mol
Exact Mass294.08
IUPAC Name6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole
SMILESCc1ccc(-n2c(C(F)(F)F)nc3ccc(F)cc32)cc1
InChIInChI=1S/C15H10F4N2/c1-9-2-5-11(6-3-9)21-13-8-10(16)4-7-12(13)20-14(21)15(17,18)19/h2-8H,1H3
InChIKeyGTRGGAITNXWIRD-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole
CID 164670438
2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 143549874
6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870
6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole
CID 83450606
4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile
CID 83418617
1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole
CID 174169006
4-(6-fluoro-2-methylbenzimidazol-1-yl)benzenesulfinate
CID 91048066
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822
3-(4-nitrophenyl)-2-(trifluoromethyl)benzimidazol-5-ol
CID 15175571
6-fluoro-2-methyl-1-[4-[3-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrazol-1-yl]phenyl]benzimidazole
CID 44628655
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
6-fluoro-2-methyl-1-[1-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazin-5-yl]benzimidazole
CID 154320046

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole (CID 164670426) is 6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole is Cc1ccc(-n2c(C(F)(F)F)nc3ccc(F)cc32)cc1.
What is the InChIKey of 6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole?
The InChIKey is GTRGGAITNXWIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2/c1-9-2-5-11(6-3-9)21-13-8-10(16)4-7-12(13)20-14(21)15(17,18)19/h2-8H,1H3.
What are the key properties of 6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole?
6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole has a molecular weight of 294.25 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 164670426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).