5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione

C28H30F6N2O5 — CID 121414792

IUPAC5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione
SMILESCCCc1c(OCCCCN2C(=O)NC(C)(c3cccc(OC)c3)C2=O)ccc2c1OCC2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C28H30F6N2O5/c1-4-8-19-21(12-11-20-22(19)41-16-26(20,27(29,30)31)28(32,33)34)40-14-6-5-13-36-23(37)25(2,35-24(36)38)17-9-7-10-18(15-17)39-3/h7,9-12,15H,4-6,8,13-14,16H2,1-3H3,(H,35,38)
InChIKeyIFPBBLOYQPFYJJ-UHFFFAOYSA-N
MW588.55 g/mol
LogP6.03
Rot. Bonds10

About 5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione

5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione (PubChem CID 121414792) has the molecular formula C28H30F6N2O5 and a molecular weight of 588.55 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione
PubChem CID121414792
Molecular FormulaC28H30F6N2O5
Molecular Weight588.55 g/mol
Exact Mass588.21
IUPAC Name5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione
SMILESCCCc1c(OCCCCN2C(=O)NC(C)(c3cccc(OC)c3)C2=O)ccc2c1OCC2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C28H30F6N2O5/c1-4-8-19-21(12-11-20-22(19)41-16-26(20,27(29,30)31)28(32,33)34)40-14-6-5-13-36-23(37)25(2,35-24(36)38)17-9-7-10-18(15-17)39-3/h7,9-12,15H,4-6,8,13-14,16H2,1-3H3,(H,35,38)
InChIKeyIFPBBLOYQPFYJJ-UHFFFAOYSA-N
XLogP6.03
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.55
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione 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 5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione (CID 121414792) is 5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione is CCCc1c(OCCCCN2C(=O)NC(C)(c3cccc(OC)c3)C2=O)ccc2c1OCC2(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione?
The InChIKey is IFPBBLOYQPFYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F6N2O5/c1-4-8-19-21(12-11-20-22(19)41-16-26(20,27(29,30)31)28(32,33)34)40-14-6-5-13-36-23(37)25(2,35-24(36)38)17-9-7-10-18(15-17)39-3/h7,9-12,15H,4-6,8,13-14,16H2,1-3H3,(H,35,38).
What are the key properties of 5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione?
5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione has a molecular weight of 588.55 g/mol, XLogP of 6.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-5-methyl-3-[4-[[7-propyl-3,3-bis(trifluoromethyl)-2H-1-benzofuran-6-yl]oxy]butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121414792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).