2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide

C28H27ClN4O2 — CID 23649413

About 2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide

2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide (PubChem CID 23649413) has the molecular formula C28H27ClN4O2 and a molecular weight of 487.00 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
• PubChem CID: 23649413
• Molecular Formula: C28H27ClN4O2
• Molecular Weight: 487.00 g/mol
• Exact Mass: 486.18
• IUPAC Name: 2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
• SMILES: CC(C)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)Cc1cccc(Cl)c1
• InChI: InChI=1S/C28H27ClN4O2/c1-20(2)32(27(35)17-21-10-9-13-23(29)16-21)19-26(34)31-28-30-25(22-11-5-3-6-12-22)18-33(28)24-14-7-4-8-15-24/h3-16,18,20H,17,19H2,1-2H3,(H,30,31,34)
• InChIKey: IKKWPRVJCHOXOI-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.00
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?

The IUPAC name of 2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide (CID 23649413) is 2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide is CC(C)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)Cc1cccc(Cl)c1.

What is the InChIKey of 2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?

The InChIKey is IKKWPRVJCHOXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O2/c1-20(2)32(27(35)17-21-10-9-13-23(29)16-21)19-26(34)31-28-30-25(22-11-5-3-6-12-22)18-33(28)24-14-7-4-8-15-24/h3-16,18,20H,17,19H2,1-2H3,(H,30,31,34).

What are the key properties of 2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?

2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide has a molecular weight of 487.00 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 23649413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).