1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine

C24H24F3NO — CID 15523497

IUPAC1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
SMILESCc1oc2ccc(CCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)cc2c1C
InChIInChI=1S/C24H24F3NO/c1-16-17(2)29-23-7-6-18(14-22(16)23)8-11-28-12-9-19(10-13-28)20-4-3-5-21(15-20)24(25,26)27/h3-7,9,14-15H,8,10-13H2,1-2H3
InChIKeyXCSQVPFKWBITPJ-UHFFFAOYSA-N
MW399.46 g/mol
LogP6.40
Rot. Bonds4

About 1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine

1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine (PubChem CID 15523497) has the molecular formula C24H24F3NO and a molecular weight of 399.46 g/mol. Its IUPAC name is 1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
PubChem CID15523497
Molecular FormulaC24H24F3NO
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
SMILESCc1oc2ccc(CCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)cc2c1C
InChIInChI=1S/C24H24F3NO/c1-16-17(2)29-23-7-6-18(14-22(16)23)8-11-28-12-9-19(10-13-28)20-4-3-5-21(15-20)24(25,26)27/h3-7,9,14-15H,8,10-13H2,1-2H3
InChIKeyXCSQVPFKWBITPJ-UHFFFAOYSA-N
XLogP6.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine (CID 15523497) is 1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine is Cc1oc2ccc(CCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)cc2c1C.
What is the InChIKey of 1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
The InChIKey is XCSQVPFKWBITPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO/c1-16-17(2)29-23-7-6-18(14-22(16)23)8-11-28-12-9-19(10-13-28)20-4-3-5-21(15-20)24(25,26)27/h3-7,9,14-15H,8,10-13H2,1-2H3.
What are the key properties of 1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine has a molecular weight of 399.46 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethyl-1-benzofuran-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15523497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).