5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

C24H27N5O2S — CID 126463087

About 5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 126463087) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is 5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
• PubChem CID: 126463087
• Molecular Formula: C24H27N5O2S
• Molecular Weight: 449.58 g/mol
• Exact Mass: 449.19
• IUPAC Name: 5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
• SMILES: CC1(C2CCN(Cc3cccn3-c3cccnc3)CC2)NC(=O)N(Cc2ccsc2)C1=O
• InChI: InChI=1S/C24H27N5O2S/c1-24(22(30)29(23(31)26-24)15-18-8-13-32-17-18)19-6-11-27(12-7-19)16-21-5-3-10-28(21)20-4-2-9-25-14-20/h2-5,8-10,13-14,17,19H,6-7,11-12,15-16H2,1H3,(H,26,31)
• InChIKey: BDNLTPMBDQPVAD-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.58
LogP ≤ 5	3.66
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-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

The IUPAC name of 5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (CID 126463087) is 5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is CC1(C2CCN(Cc3cccn3-c3cccnc3)CC2)NC(=O)N(Cc2ccsc2)C1=O.

What is the InChIKey of 5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

The InChIKey is BDNLTPMBDQPVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-24(22(30)29(23(31)26-24)15-18-8-13-32-17-18)19-6-11-27(12-7-19)16-21-5-3-10-28(21)20-4-2-9-25-14-20/h2-5,8-10,13-14,17,19H,6-7,11-12,15-16H2,1H3,(H,26,31).

What are the key properties of 5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 449.58 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126463087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).