7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole

C23H19F3N2O — CID 11338440

IUPAC7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
SMILESCOC(C)c1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1
InChIInChI=1S/C23H19F3N2O/c1-15(29-2)16-7-6-8-17(11-16)20-12-18(23(24,25)26)13-21-22(20)28(14-27-21)19-9-4-3-5-10-19/h3-15H,1-2H3
InChIKeyPQGWRUYMBGFIPK-UHFFFAOYSA-N
MW396.41 g/mol
LogP6.42
Rot. Bonds4

About 7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole

7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole (PubChem CID 11338440) has the molecular formula C23H19F3N2O and a molecular weight of 396.41 g/mol. Its IUPAC name is 7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
PubChem CID11338440
Molecular FormulaC23H19F3N2O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
SMILESCOC(C)c1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1
InChIInChI=1S/C23H19F3N2O/c1-15(29-2)16-7-6-8-17(11-16)20-12-18(23(24,25)26)13-21-22(20)28(14-27-21)19-9-4-3-5-10-19/h3-15H,1-2H3
InChIKeyPQGWRUYMBGFIPK-UHFFFAOYSA-N
XLogP6.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole (CID 11338440) is 7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole is COC(C)c1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1.
What is the InChIKey of 7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is PQGWRUYMBGFIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O/c1-15(29-2)16-7-6-8-17(11-16)20-12-18(23(24,25)26)13-21-22(20)28(14-27-21)19-9-4-3-5-10-19/h3-15H,1-2H3.
What are the key properties of 7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole?
7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 396.41 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 11338440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).