1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole

C22H17F3N2O — CID 100949603

IUPAC1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(Cn2c(-c3ccccc3)nc3cccc(C(F)(F)F)c32)cc1
InChIInChI=1S/C22H17F3N2O/c1-28-17-12-10-15(11-13-17)14-27-20-18(22(23,24)25)8-5-9-19(20)26-21(27)16-6-3-2-4-7-16/h2-13H,14H2,1H3
InChIKeyYOCXVBGMCOYILI-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.78
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole

1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole (PubChem CID 100949603) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole
PubChem CID100949603
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(Cn2c(-c3ccccc3)nc3cccc(C(F)(F)F)c32)cc1
InChIInChI=1S/C22H17F3N2O/c1-28-17-12-10-15(11-13-17)14-27-20-18(22(23,24)25)8-5-9-19(20)26-21(27)16-6-3-2-4-7-16/h2-13H,14H2,1H3
InChIKeyYOCXVBGMCOYILI-UHFFFAOYSA-N
XLogP5.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole (CID 100949603) is 1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole is COc1ccc(Cn2c(-c3ccccc3)nc3cccc(C(F)(F)F)c32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole?
The InChIKey is YOCXVBGMCOYILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O/c1-28-17-12-10-15(11-13-17)14-27-20-18(22(23,24)25)8-5-9-19(20)26-21(27)16-6-3-2-4-7-16/h2-13H,14H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole?
1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole has a molecular weight of 382.39 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-phenyl-7-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 100949603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).