1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole

C23H21F3N2O — CID 46310823

IUPAC1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
SMILESCC(C)Cn1c(COc2ccc3ccccc3c2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H21F3N2O/c1-15(2)13-28-21-10-8-18(23(24,25)26)12-20(21)27-22(28)14-29-19-9-7-16-5-3-4-6-17(16)11-19/h3-12,15H,13-14H2,1-2H3
InChIKeyZIQGVNLURUWPFM-UHFFFAOYSA-N
MW398.43 g/mol
LogP6.44
Rot. Bonds5

About 1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole

1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole (PubChem CID 46310823) has the molecular formula C23H21F3N2O and a molecular weight of 398.43 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
PubChem CID46310823
Molecular FormulaC23H21F3N2O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
SMILESCC(C)Cn1c(COc2ccc3ccccc3c2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H21F3N2O/c1-15(2)13-28-21-10-8-18(23(24,25)26)12-20(21)27-22(28)14-29-19-9-7-16-5-3-4-6-17(16)11-19/h3-12,15H,13-14H2,1-2H3
InChIKeyZIQGVNLURUWPFM-UHFFFAOYSA-N
XLogP6.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole (CID 46310823) is 1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole is CC(C)Cn1c(COc2ccc3ccccc3c2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is ZIQGVNLURUWPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O/c1-15(2)13-28-21-10-8-18(23(24,25)26)12-20(21)27-22(28)14-29-19-9-7-16-5-3-4-6-17(16)11-19/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole?
1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 398.43 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46310823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).