1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole

C22H17F3N2O — CID 134083961

IUPAC1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole
SMILESCc1ccc(Cn2c(-c3ccc(OC(F)(F)F)cc3)nc3ccccc32)cc1
InChIInChI=1S/C22H17F3N2O/c1-15-6-8-16(9-7-15)14-27-20-5-3-2-4-19(20)26-21(27)17-10-12-18(13-11-17)28-22(23,24)25/h2-13H,14H2,1H3
InChIKeyRYUSLUOGRDIUQJ-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.96
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole

1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole (PubChem CID 134083961) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole
PubChem CID134083961
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole
SMILESCc1ccc(Cn2c(-c3ccc(OC(F)(F)F)cc3)nc3ccccc32)cc1
InChIInChI=1S/C22H17F3N2O/c1-15-6-8-16(9-7-15)14-27-20-5-3-2-4-19(20)26-21(27)17-10-12-18(13-11-17)28-22(23,24)25/h2-13H,14H2,1H3
InChIKeyRYUSLUOGRDIUQJ-UHFFFAOYSA-N
XLogP5.96
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 ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole?
The IUPAC name of 1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole (CID 134083961) is 1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole is Cc1ccc(Cn2c(-c3ccc(OC(F)(F)F)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole?
The InChIKey is RYUSLUOGRDIUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O/c1-15-6-8-16(9-7-15)14-27-20-5-3-2-4-19(20)26-21(27)17-10-12-18(13-11-17)28-22(23,24)25/h2-13H,14H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole?
1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole has a molecular weight of 382.39 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]benzimidazole is sourced from PubChem (CID 134083961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).