2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide

C26H32ClN5O5 — CID 23993327

About 2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide

2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide (PubChem CID 23993327) has the molecular formula C26H32ClN5O5 and a molecular weight of 530.03 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
• PubChem CID: 23993327
• Molecular Formula: C26H32ClN5O5
• Molecular Weight: 530.03 g/mol
• Exact Mass: 529.21
• IUPAC Name: 2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
• SMILES: COc1ccc(NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)C2C(=O)NC2CCC(N)CC2)cc1
• InChI: InChI=1S/C26H32ClN5O5/c1-36-21-12-8-20(9-13-21)30-26(35)32-15-14-31(23(33)16-37-22-10-2-17(27)3-11-22)25(32)24(34)29-19-6-4-18(28)5-7-19/h2-3,8-13,18-19,25H,4-7,14-16,28H2,1H3,(H,29,34)(H,30,35)
• InChIKey: OLPKFZBCMCEZJD-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 126.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.03
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide?

The IUPAC name of 2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide (CID 23993327) is 2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide.

What is the SMILES notation for 2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide?

The canonical SMILES for 2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide is COc1ccc(NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)C2C(=O)NC2CCC(N)CC2)cc1.

What is the InChIKey of 2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide?

The InChIKey is OLPKFZBCMCEZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O5/c1-36-21-12-8-20(9-13-21)30-26(35)32-15-14-31(23(33)16-37-22-10-2-17(27)3-11-22)25(32)24(34)29-19-6-4-18(28)5-7-19/h2-3,8-13,18-19,25H,4-7,14-16,28H2,1H3,(H,29,34)(H,30,35).

What are the key properties of 2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide?

2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide has a molecular weight of 530.03 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23993327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).