4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole

C22H24F3N3O — CID 25160967

IUPAC4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3[nH]cnc23)(c2ccccc2)CC1
InChIInChI=1S/C22H24F3N3O/c1-28-9-7-21(8-10-28,17-5-3-2-4-6-17)14-29-13-16-11-18(22(23,24)25)12-19-20(16)27-15-26-19/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,26,27)
InChIKeyRWAHDUZZDKGTDZ-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.76
Rot. Bonds5

About 4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole

4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 25160967) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is 4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID25160967
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3[nH]cnc23)(c2ccccc2)CC1
InChIInChI=1S/C22H24F3N3O/c1-28-9-7-21(8-10-28,17-5-3-2-4-6-17)14-29-13-16-11-18(22(23,24)25)12-19-20(16)27-15-26-19/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,26,27)
InChIKeyRWAHDUZZDKGTDZ-UHFFFAOYSA-N
XLogP4.76
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole (CID 25160967) is 4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole is CN1CCC(COCc2cc(C(F)(F)F)cc3[nH]cnc23)(c2ccccc2)CC1.
What is the InChIKey of 4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is RWAHDUZZDKGTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-28-9-7-21(8-10-28,17-5-3-2-4-6-17)14-29-13-16-11-18(22(23,24)25)12-19-20(16)27-15-26-19/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,26,27).
What are the key properties of 4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole?
4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 403.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 25160967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).