3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

C31H31F6N3O5 — CID 59201033

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

3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (PubChem CID 59201033) has the molecular formula C31H31F6N3O5 and a molecular weight of 639.59 g/mol. Its IUPAC name is 3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
• PubChem CID: 59201033
• Molecular Formula: C31H31F6N3O5
• Molecular Weight: 639.59 g/mol
• Exact Mass: 639.22
• IUPAC Name: 3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
• SMILES: CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cncc(CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c1
• InChI: InChI=1S/C31H31F6N3O5/c1-5-6-20-14-22(29(43,30(32,33)34)31(35,36)37)9-12-25(20)45-24-13-19(15-38-16-24)17-40-26(41)28(4,39-27(40)42)21-7-10-23(11-8-21)44-18(2)3/h7-16,18,43H,5-6,17H2,1-4H3,(H,39,42)
• InChIKey: KCNSWUMPUSEVMV-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 100.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.59
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?

The IUPAC name of 3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (CID 59201033) is 3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for 3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?

The canonical SMILES for 3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cncc(CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c1.

What is the InChIKey of 3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?

The InChIKey is KCNSWUMPUSEVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F6N3O5/c1-5-6-20-14-22(29(43,30(32,33)34)31(35,36)37)9-12-25(20)45-24-13-19(15-38-16-24)17-40-26(41)28(4,39-27(40)42)21-7-10-23(11-8-21)44-18(2)3/h7-16,18,43H,5-6,17H2,1-4H3,(H,39,42).

What are the key properties of 3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?

3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione has a molecular weight of 639.59 g/mol, XLogP of 6.89, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-3-pyridinyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59201033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).