(5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione

C23H29ClN4O2S — CID 42238307

About (5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione

(5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 42238307) has the molecular formula C23H29ClN4O2S and a molecular weight of 461.03 g/mol. Its IUPAC name is (5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
• PubChem CID: 42238307
• Molecular Formula: C23H29ClN4O2S
• Molecular Weight: 461.03 g/mol
• Exact Mass: 460.17
• IUPAC Name: (5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
• SMILES: CC[C@]1(C2CCN(Cc3cccc(Cl)c3)CC2)NC(=O)N(CCc2scnc2C)C1=O
• InChI: InChI=1S/C23H29ClN4O2S/c1-3-23(18-7-10-27(11-8-18)14-17-5-4-6-19(24)13-17)21(29)28(22(30)26-23)12-9-20-16(2)25-15-31-20/h4-6,13,15,18H,3,7-12,14H2,1-2H3,(H,26,30)/t23-/m1/s1
• InChIKey: IRDXNCLGJHAZTD-HSZRJFAPSA-N
• XLogP: 4.26
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.03
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (CID 42238307) is (5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is CC[C@]1(C2CCN(Cc3cccc(Cl)c3)CC2)NC(=O)N(CCc2scnc2C)C1=O.

What is the InChIKey of (5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?

The InChIKey is IRDXNCLGJHAZTD-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H29ClN4O2S/c1-3-23(18-7-10-27(11-8-18)14-17-5-4-6-19(24)13-17)21(29)28(22(30)26-23)12-9-20-16(2)25-15-31-20/h4-6,13,15,18H,3,7-12,14H2,1-2H3,(H,26,30)/t23-/m1/s1.

What are the key properties of (5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?

(5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 461.03 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42238307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).