5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione

C32H31F6N3O5 — CID 44538343

IUPAC5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc4c(c3)OC(C)(C)C4)C2=O)c1
InChIInChI=1S/C32H31F6N3O5/c1-5-6-18-13-21(30(44,31(33,34)35)32(36,37)38)9-10-24(18)45-23-11-12-39-22(15-23)17-41-26(42)29(4,40-27(41)43)20-8-7-19-16-28(2,3)46-25(19)14-20/h7-15,44H,5-6,16-17H2,1-4H3,(H,40,43)
InChIKeyOBVCHHSNAKMPCT-UHFFFAOYSA-N
MW651.60 g/mol
LogP6.82
Rot. Bonds8

About 5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione

5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 44538343) has the molecular formula C32H31F6N3O5 and a molecular weight of 651.60 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID44538343
Molecular FormulaC32H31F6N3O5
Molecular Weight651.60 g/mol
Exact Mass651.22
IUPAC Name5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc4c(c3)OC(C)(C)C4)C2=O)c1
InChIInChI=1S/C32H31F6N3O5/c1-5-6-18-13-21(30(44,31(33,34)35)32(36,37)38)9-10-24(18)45-23-11-12-39-22(15-23)17-41-26(42)29(4,40-27(41)43)20-8-7-19-16-28(2,3)46-25(19)14-20/h7-15,44H,5-6,16-17H2,1-4H3,(H,40,43)
InChIKeyOBVCHHSNAKMPCT-UHFFFAOYSA-N
XLogP6.82
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.60
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-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-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione (CID 44538343) is 5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc4c(c3)OC(C)(C)C4)C2=O)c1.
What is the InChIKey of 5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is OBVCHHSNAKMPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F6N3O5/c1-5-6-18-13-21(30(44,31(33,34)35)32(36,37)38)9-10-24(18)45-23-11-12-39-22(15-23)17-41-26(42)29(4,40-27(41)43)20-8-7-19-16-28(2,3)46-25(19)14-20/h7-15,44H,5-6,16-17H2,1-4H3,(H,40,43).
What are the key properties of 5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 651.60 g/mol, XLogP of 6.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 44538343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).