6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole

C23H21FN2O3 — CID 166626905

IUPAC6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1cc(-n2cnc3ccc(-c4ccc(C)cc4F)cc32)cc(OC)c1OC
InChIInChI=1S/C23H21FN2O3/c1-14-5-7-17(18(24)9-14)15-6-8-19-20(10-15)26(13-25-19)16-11-21(27-2)23(29-4)22(12-16)28-3/h5-13H,1-4H3
InChIKeyBAXKHSCZZKGVSH-UHFFFAOYSA-N
MW392.43 g/mol
LogP5.17
Rot. Bonds5

About 6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole

6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole (PubChem CID 166626905) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
PubChem CID166626905
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1cc(-n2cnc3ccc(-c4ccc(C)cc4F)cc32)cc(OC)c1OC
InChIInChI=1S/C23H21FN2O3/c1-14-5-7-17(18(24)9-14)15-6-8-19-20(10-15)26(13-25-19)16-11-21(27-2)23(29-4)22(12-16)28-3/h5-13H,1-4H3
InChIKeyBAXKHSCZZKGVSH-UHFFFAOYSA-N
XLogP5.17
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.43
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The IUPAC name of 6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole (CID 166626905) is 6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole.
What is the SMILES notation for 6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The canonical SMILES for 6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole is COc1cc(-n2cnc3ccc(-c4ccc(C)cc4F)cc32)cc(OC)c1OC.
What is the InChIKey of 6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The InChIKey is BAXKHSCZZKGVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-14-5-7-17(18(24)9-14)15-6-8-19-20(10-15)26(13-25-19)16-11-21(27-2)23(29-4)22(12-16)28-3/h5-13H,1-4H3.
What are the key properties of 6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole has a molecular weight of 392.43 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole is sourced from PubChem (CID 166626905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).