(4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide

C34H41Cl2N5O2 — CID 67206259

About (4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide

(4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide (PubChem CID 67206259) has the molecular formula C34H41Cl2N5O2 and a molecular weight of 622.64 g/mol. Its IUPAC name is (4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide.

Molecular Properties

• Compound Name: (4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide
• PubChem CID: 67206259
• Molecular Formula: C34H41Cl2N5O2
• Molecular Weight: 622.64 g/mol
• Exact Mass: 621.26
• IUPAC Name: (4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide
• SMILES: CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)NC1CCNCC1
• InChI: InChI=1S/C34H41Cl2N5O2/c1-7-43-28-20-29(32(2,3)4)38-21-27(28)30-40-33(5,22-8-12-24(35)13-9-22)34(6,23-10-14-25(36)15-11-23)41(30)31(42)39-26-16-18-37-19-17-26/h8-15,20-21,26,37H,7,16-19H2,1-6H3,(H,39,42)/t33-,34+/m0/s1
• InChIKey: RUVGUUFCHZRCDO-SZAHLOSFSA-N
• XLogP: 7.44
• TPSA: 78.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.64
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide?

The IUPAC name of (4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide (CID 67206259) is (4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide.

What is the SMILES notation for (4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide?

The canonical SMILES for (4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide is CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)NC1CCNCC1.

What is the InChIKey of (4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide?

The InChIKey is RUVGUUFCHZRCDO-SZAHLOSFSA-N. The full InChI is InChI=1S/C34H41Cl2N5O2/c1-7-43-28-20-29(32(2,3)4)38-21-27(28)30-40-33(5,22-8-12-24(35)13-9-22)34(6,23-10-14-25(36)15-11-23)41(30)31(42)39-26-16-18-37-19-17-26/h8-15,20-21,26,37H,7,16-19H2,1-6H3,(H,39,42)/t33-,34+/m0/s1.

What are the key properties of (4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide?

(4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide has a molecular weight of 622.64 g/mol, XLogP of 7.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-N-piperidin-4-ylimidazole-1-carboxamide is sourced from PubChem (CID 67206259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).