2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

C32H37Cl2N5O4S — CID 68579452

About 2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 68579452) has the molecular formula C32H37Cl2N5O4S and a molecular weight of 658.65 g/mol. Its IUPAC name is 2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
• PubChem CID: 68579452
• Molecular Formula: C32H37Cl2N5O4S
• Molecular Weight: 658.65 g/mol
• Exact Mass: 657.19
• IUPAC Name: 2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
• SMILES: CCOc1ccsc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)NC(C)COC)CC1
• InChI: InChI=1S/C32H37Cl2N5O4S/c1-4-43-26-13-18-44-30(26)31-36-28(22-5-9-24(33)10-6-22)29(23-7-11-25(34)12-8-23)39(31)32(41)38-16-14-37(15-17-38)19-27(40)35-21(2)20-42-3/h5-13,18,21,28-29H,4,14-17,19-20H2,1-3H3,(H,35,40)
• InChIKey: AUCYFLMSVPKIHP-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 86.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.65
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?

The IUPAC name of 2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (CID 68579452) is 2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.

What is the SMILES notation for 2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?

The canonical SMILES for 2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is CCOc1ccsc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)NC(C)COC)CC1.

What is the InChIKey of 2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?

The InChIKey is AUCYFLMSVPKIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37Cl2N5O4S/c1-4-43-26-13-18-44-30(26)31-36-28(22-5-9-24(33)10-6-22)29(23-7-11-25(34)12-8-23)39(31)32(41)38-16-14-37(15-17-38)19-27(40)35-21(2)20-42-3/h5-13,18,21,28-29H,4,14-17,19-20H2,1-3H3,(H,35,40).

What are the key properties of 2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?

2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 658.65 g/mol, XLogP of 5.89, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 68579452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).