6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole

C22H18F2N2O — CID 170036536

IUPAC6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole
SMILESCc1cc(-c2nc3ccc(F)cc3[nH]2)c(F)c(OCc2ccccc2)c1C
InChIInChI=1S/C22H18F2N2O/c1-13-10-17(22-25-18-9-8-16(23)11-19(18)26-22)20(24)21(14(13)2)27-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyMXJBOFPQEIYAAE-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.70
Rot. Bonds4

About 6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole

6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole (PubChem CID 170036536) has the molecular formula C22H18F2N2O and a molecular weight of 364.40 g/mol. Its IUPAC name is 6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole
PubChem CID170036536
Molecular FormulaC22H18F2N2O
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole
SMILESCc1cc(-c2nc3ccc(F)cc3[nH]2)c(F)c(OCc2ccccc2)c1C
InChIInChI=1S/C22H18F2N2O/c1-13-10-17(22-25-18-9-8-16(23)11-19(18)26-22)20(24)21(14(13)2)27-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyMXJBOFPQEIYAAE-UHFFFAOYSA-N
XLogP5.70
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 46986195
2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 114020270
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole
CID 60981364
2-(4-fluoro-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 112688356
6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole
CID 56796622
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole
CID 169002843
2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 60979329
ethyl 2-(4-tert-butyl-2-methylphenyl)-6-fluoro-4-phenylmethoxyquinoline-3-carboxylate
CID 169256248
6-fluoro-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole
CID 118723076

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole (CID 170036536) is 6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole is Cc1cc(-c2nc3ccc(F)cc3[nH]2)c(F)c(OCc2ccccc2)c1C.
What is the InChIKey of 6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole?
The InChIKey is MXJBOFPQEIYAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O/c1-13-10-17(22-25-18-9-8-16(23)11-19(18)26-22)20(24)21(14(13)2)27-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,25,26).
What are the key properties of 6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole?
6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole has a molecular weight of 364.40 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 170036536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).