3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C19H19ClN2O2 — CID 5308116

About 3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 5308116) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
• PubChem CID: 5308116
• Molecular Formula: C19H19ClN2O2
• Molecular Weight: 342.83 g/mol
• Exact Mass: 342.11
• IUPAC Name: 3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
• SMILES: COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2Cl)cc1
• InChI: InChI=1S/C19H19ClN2O2/c1-24-14-10-8-13(9-11-14)22-18(15-5-2-3-6-16(15)20)21-12-4-7-17(21)19(22)23/h2-3,5-6,8-11,17-18H,4,7,12H2,1H3
• InChIKey: CNLXQDJTVQYTPX-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.83
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?

The IUPAC name of 3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 5308116) is 3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

What is the SMILES notation for 3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?

The canonical SMILES for 3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2Cl)cc1.

What is the InChIKey of 3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?

The InChIKey is CNLXQDJTVQYTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-24-14-10-8-13(9-11-14)22-18(15-5-2-3-6-16(15)20)21-12-4-7-17(21)19(22)23/h2-3,5-6,8-11,17-18H,4,7,12H2,1H3.

What are the key properties of 3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?

3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 342.83 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 5308116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).