1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone

C37H42F6N5O3- — CID 154486201

About 1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone

1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone (PubChem CID 154486201) has the molecular formula C37H42F6N5O3- and a molecular weight of 718.76 g/mol. Its IUPAC name is 1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone
• PubChem CID: 154486201
• Molecular Formula: C37H42F6N5O3-
• Molecular Weight: 718.76 g/mol
• Exact Mass: 718.32
• IUPAC Name: 1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone
• SMILES: C/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2C[N-]C(C)(c3ccc(OC(C)C)cn3)C2)CC1
• InChI: InChI=1S/C37H42F6N5O3/c1-5-9-28-20-29(35(36(38,39)40,37(41,42)43)50-23-27-10-7-6-8-11-27)12-14-31(28)47-16-18-48(19-17-47)33(49)22-46-24-34(4,45-25-46)32-15-13-30(21-44-32)51-26(2)3/h5-15,20-21,26H,16-19,22-25H2,1-4H3/q-1/b9-5-
• InChIKey: CPASHGKXJLQUTF-UITAMQMPSA-N
• XLogP: 7.65
• TPSA: 72.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.76
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone?

The IUPAC name of 1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone (CID 154486201) is 1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone.

What is the SMILES notation for 1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone?

The canonical SMILES for 1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone is C/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2C[N-]C(C)(c3ccc(OC(C)C)cn3)C2)CC1.

What is the InChIKey of 1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone?

The InChIKey is CPASHGKXJLQUTF-UITAMQMPSA-N. The full InChI is InChI=1S/C37H42F6N5O3/c1-5-9-28-20-29(35(36(38,39)40,37(41,42)43)50-23-27-10-7-6-8-11-27)12-14-31(28)47-16-18-48(19-17-47)33(49)22-46-24-34(4,45-25-46)32-15-13-30(21-44-32)51-26(2)3/h5-15,20-21,26H,16-19,22-25H2,1-4H3/q-1/b9-5-.

What are the key properties of 1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone?

1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone has a molecular weight of 718.76 g/mol, XLogP of 7.65, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]-2-[4-methyl-4-(5-propan-2-yloxy-2-pyridinyl)imidazolidin-3-id-1-yl]ethanone is sourced from PubChem (CID 154486201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).