5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C38H38F6N4O5 — CID 86647211

About 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 86647211) has the molecular formula C38H38F6N4O5 and a molecular weight of 744.73 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 86647211
• Molecular Formula: C38H38F6N4O5
• Molecular Weight: 744.73 g/mol
• Exact Mass: 744.27
• IUPAC Name: 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• SMILES: CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2C(=O)NC(C)(c3ccc4c(c3)OCC4)C2=O)C[C@@H]1C
• InChI: InChI=1S/C38H38F6N4O5/c1-4-8-27-19-29(36(37(39,40)41,38(42,43)44)53-23-25-9-6-5-7-10-25)13-14-30(27)47-17-16-46(21-24(47)2)32(49)22-48-33(50)35(3,45-34(48)51)28-12-11-26-15-18-52-31(26)20-28/h4-14,19-20,24H,15-18,21-23H2,1-3H3,(H,45,51)/t24-,35?/m0/s1
• InChIKey: OFDHURSWHACPPQ-FRIBFZOTSA-N
• XLogP: 6.70
• TPSA: 91.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.73
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
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 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 86647211) is 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2C(=O)NC(C)(c3ccc4c(c3)OCC4)C2=O)C[C@@H]1C.

What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is OFDHURSWHACPPQ-FRIBFZOTSA-N. The full InChI is InChI=1S/C38H38F6N4O5/c1-4-8-27-19-29(36(37(39,40)41,38(42,43)44)53-23-25-9-6-5-7-10-25)13-14-30(27)47-17-16-46(21-24(47)2)32(49)22-48-33(50)35(3,45-34(48)51)28-12-11-26-15-18-52-31(26)20-28/h4-14,19-20,24H,15-18,21-23H2,1-3H3,(H,45,51)/t24-,35?/m0/s1.

What are the key properties of 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 744.73 g/mol, XLogP of 6.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 86647211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).