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

C31H29F6N3O5 — CID 59200905

IUPAC3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc4c(c3)OC(C)C4)C2=O)c1
InChIInChI=1S/C31H29F6N3O5/c1-4-5-18-13-21(29(43,30(32,33)34)31(35,36)37)8-9-24(18)45-23-10-11-38-22(15-23)16-40-26(41)28(3,39-27(40)42)20-7-6-19-12-17(2)44-25(19)14-20/h6-11,13-15,17,43H,4-5,12,16H2,1-3H3,(H,39,42)
InChIKeyGIWGMODQXGPTTH-UHFFFAOYSA-N
MW637.58 g/mol
LogP6.43
Rot. Bonds8

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

3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione (PubChem CID 59200905) has the molecular formula C31H29F6N3O5 and a molecular weight of 637.58 g/mol. Its IUPAC name is 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione
PubChem CID59200905
Molecular FormulaC31H29F6N3O5
Molecular Weight637.58 g/mol
Exact Mass637.20
IUPAC Name3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc4c(c3)OC(C)C4)C2=O)c1
InChIInChI=1S/C31H29F6N3O5/c1-4-5-18-13-21(29(43,30(32,33)34)31(35,36)37)8-9-24(18)45-23-10-11-38-22(15-23)16-40-26(41)28(3,39-27(40)42)20-7-6-19-12-17(2)44-25(19)14-20/h6-11,13-15,17,43H,4-5,12,16H2,1-3H3,(H,39,42)
InChIKeyGIWGMODQXGPTTH-UHFFFAOYSA-N
XLogP6.43
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.58
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione (CID 59200905) is 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc4c(c3)OC(C)C4)C2=O)c1.
What is the InChIKey of 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione?
The InChIKey is GIWGMODQXGPTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F6N3O5/c1-4-5-18-13-21(29(43,30(32,33)34)31(35,36)37)8-9-24(18)45-23-10-11-38-22(15-23)16-40-26(41)28(3,39-27(40)42)20-7-6-19-12-17(2)44-25(19)14-20/h6-11,13-15,17,43H,4-5,12,16H2,1-3H3,(H,39,42).
What are the key properties of 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione?
3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione has a molecular weight of 637.58 g/mol, XLogP of 6.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 59200905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).