2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole

C15H10F4N2O — CID 168555718

IUPAC2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESCOc1cc(C(F)(F)F)cc(F)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C15H10F4N2O/c1-22-12-7-8(15(17,18)19)6-9(16)13(12)14-20-10-4-2-3-5-11(10)21-14/h2-7H,1H3,(H,20,21)
InChIKeyUSVXXVIXYGKGSJ-UHFFFAOYSA-N
MW310.25 g/mol
LogP4.40
Rot. Bonds2

About 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole

2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole (PubChem CID 168555718) has the molecular formula C15H10F4N2O and a molecular weight of 310.25 g/mol. Its IUPAC name is 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole
PubChem CID168555718
Molecular FormulaC15H10F4N2O
Molecular Weight310.25 g/mol
Exact Mass310.07
IUPAC Name2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESCOc1cc(C(F)(F)F)cc(F)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C15H10F4N2O/c1-22-12-7-8(15(17,18)19)6-9(16)13(12)14-20-10-4-2-3-5-11(10)21-14/h2-7H,1H3,(H,20,21)
InChIKeyUSVXXVIXYGKGSJ-UHFFFAOYSA-N
XLogP4.40
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168552135
2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207
2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 168555419
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole
CID 168555540
2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 60979329
2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)-1H-benzimidazole
CID 168554064
4-fluoro-2-(2-fluoro-6-methoxyphenyl)-1H-benzimidazole
CID 65434615
3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913
2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
CID 168555704
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
CID 168555811

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole (CID 168555718) is 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole is COc1cc(C(F)(F)F)cc(F)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole?
The InChIKey is USVXXVIXYGKGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O/c1-22-12-7-8(15(17,18)19)6-9(16)13(12)14-20-10-4-2-3-5-11(10)21-14/h2-7H,1H3,(H,20,21).
What are the key properties of 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole?
2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole has a molecular weight of 310.25 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168555718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).