5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole

C34H32ClF3N2O — CID 134149887

IUPAC5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3cc(OCc4ccccc4Cl)ccc3n2Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C34H32ClF3N2O/c1-22(2)18-24-12-14-25(15-13-24)23(3)33-39-31-19-28(41-21-27-9-5-7-11-30(27)35)16-17-32(31)40(33)20-26-8-4-6-10-29(26)34(36,37)38/h4-17,19,22-23H,18,20-21H2,1-3H3
InChIKeyQVXIYCCHIBJAQY-UHFFFAOYSA-N
MW577.09 g/mol
LogP9.69
Rot. Bonds9

About 5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole

5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole (PubChem CID 134149887) has the molecular formula C34H32ClF3N2O and a molecular weight of 577.09 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole
PubChem CID134149887
Molecular FormulaC34H32ClF3N2O
Molecular Weight577.09 g/mol
Exact Mass576.22
IUPAC Name5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3cc(OCc4ccccc4Cl)ccc3n2Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C34H32ClF3N2O/c1-22(2)18-24-12-14-25(15-13-24)23(3)33-39-31-19-28(41-21-27-9-5-7-11-30(27)35)16-17-32(31)40(33)20-26-8-4-6-10-29(26)34(36,37)38/h4-17,19,22-23H,18,20-21H2,1-3H3
InChIKeyQVXIYCCHIBJAQY-UHFFFAOYSA-N
XLogP9.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.09
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole?
The IUPAC name of 5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole (CID 134149887) is 5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole?
The canonical SMILES for 5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole is CC(C)Cc1ccc(C(C)c2nc3cc(OCc4ccccc4Cl)ccc3n2Cc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole?
The InChIKey is QVXIYCCHIBJAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClF3N2O/c1-22(2)18-24-12-14-25(15-13-24)23(3)33-39-31-19-28(41-21-27-9-5-7-11-30(27)35)16-17-32(31)40(33)20-26-8-4-6-10-29(26)34(36,37)38/h4-17,19,22-23H,18,20-21H2,1-3H3.
What are the key properties of 5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole?
5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole has a molecular weight of 577.09 g/mol, XLogP of 9.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole is sourced from PubChem (CID 134149887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).