6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole

C22H16ClF3N2O — CID 2764991

IUPAC6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
SMILESCc1ccc(-c2nc3ccc(Cl)cc3n2OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H16ClF3N2O/c1-14-5-7-16(8-6-14)21-27-19-10-9-18(23)12-20(19)28(21)29-13-15-3-2-4-17(11-15)22(24,25)26/h2-12H,13H2,1H3
InChIKeyYAPGQPQMHQUAPW-UHFFFAOYSA-N
MW416.83 g/mol
LogP6.31
Rot. Bonds4

About 6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole

6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole (PubChem CID 2764991) has the molecular formula C22H16ClF3N2O and a molecular weight of 416.83 g/mol. Its IUPAC name is 6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
PubChem CID2764991
Molecular FormulaC22H16ClF3N2O
Molecular Weight416.83 g/mol
Exact Mass416.09
IUPAC Name6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
SMILESCc1ccc(-c2nc3ccc(Cl)cc3n2OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H16ClF3N2O/c1-14-5-7-16(8-6-14)21-27-19-10-9-18(23)12-20(19)28(21)29-13-15-3-2-4-17(11-15)22(24,25)26/h2-12H,13H2,1H3
InChIKeyYAPGQPQMHQUAPW-UHFFFAOYSA-N
XLogP6.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.83
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole?
The IUPAC name of 6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole (CID 2764991) is 6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole.
What is the SMILES notation for 6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole?
The canonical SMILES for 6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole is Cc1ccc(-c2nc3ccc(Cl)cc3n2OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole?
The InChIKey is YAPGQPQMHQUAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N2O/c1-14-5-7-16(8-6-14)21-27-19-10-9-18(23)12-20(19)28(21)29-13-15-3-2-4-17(11-15)22(24,25)26/h2-12H,13H2,1H3.
What are the key properties of 6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole?
6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole has a molecular weight of 416.83 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole is sourced from PubChem (CID 2764991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).