1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

C27H33ClN4O — CID 10322234

About 1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 10322234) has the molecular formula C27H33ClN4O and a molecular weight of 465.04 g/mol. Its IUPAC name is 1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
• PubChem CID: 10322234
• Molecular Formula: C27H33ClN4O
• Molecular Weight: 465.04 g/mol
• Exact Mass: 464.23
• IUPAC Name: 1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
• SMILES: CC(C)N1CCN(CCN2CCC(c3cn(-c4ccccc4)c4cc(Cl)ccc34)CC2)C1=O
• InChI: InChI=1S/C27H33ClN4O/c1-20(2)31-17-16-30(27(31)33)15-14-29-12-10-21(11-13-29)25-19-32(23-6-4-3-5-7-23)26-18-22(28)8-9-24(25)26/h3-9,18-21H,10-17H2,1-2H3
• InChIKey: DRSRXSCHUHUFBD-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 31.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.04
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?

The IUPAC name of 1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 10322234) is 1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

What is the SMILES notation for 1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?

The canonical SMILES for 1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(CCN2CCC(c3cn(-c4ccccc4)c4cc(Cl)ccc34)CC2)C1=O.

What is the InChIKey of 1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?

The InChIKey is DRSRXSCHUHUFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O/c1-20(2)31-17-16-30(27(31)33)15-14-29-12-10-21(11-13-29)25-19-32(23-6-4-3-5-7-23)26-18-22(28)8-9-24(25)26/h3-9,18-21H,10-17H2,1-2H3.

What are the key properties of 1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?

1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 465.04 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 10322234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).