2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide

C20H18ClN3O — CID 90556927

About 2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide

2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide (PubChem CID 90556927) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide
• PubChem CID: 90556927
• Molecular Formula: C20H18ClN3O
• Molecular Weight: 351.84 g/mol
• Exact Mass: 351.11
• IUPAC Name: 2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide
• SMILES: O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2cnc3n2CCC3)c1
• InChI: InChI=1S/C20H18ClN3O/c21-16-8-6-14(7-9-16)11-20(25)23-17-4-1-3-15(12-17)18-13-22-19-5-2-10-24(18)19/h1,3-4,6-9,12-13H,2,5,10-11H2,(H,23,25)
• InChIKey: SDMXLQJYDAGUGP-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.84
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide (CID 90556927) is 2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2cnc3n2CCC3)c1.

What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide?

The InChIKey is SDMXLQJYDAGUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-16-8-6-14(7-9-16)11-20(25)23-17-4-1-3-15(12-17)18-13-22-19-5-2-10-24(18)19/h1,3-4,6-9,12-13H,2,5,10-11H2,(H,23,25).

What are the key properties of 2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide?

2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide has a molecular weight of 351.84 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 90556927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).