(5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C27H27N3O3 — CID 59641082

About (5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 59641082) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is (5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

• Compound Name: (5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
• PubChem CID: 59641082
• Molecular Formula: C27H27N3O3
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.21
• IUPAC Name: (5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
• SMILES: COc1ccc(COC[C@@H]2CCc3nc(-c4ccc(OC)cc4)c(-c4ccncc4)n32)cc1
• InChI: InChI=1S/C27H27N3O3/c1-31-23-8-3-19(4-9-23)17-33-18-22-7-12-25-29-26(20-5-10-24(32-2)11-6-20)27(30(22)25)21-13-15-28-16-14-21/h3-6,8-11,13-16,22H,7,12,17-18H2,1-2H3/t22-/m0/s1
• InChIKey: CEGXJEDQWIULBZ-QFIPXVFZSA-N
• XLogP: 5.33
• TPSA: 58.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?

The IUPAC name of (5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 59641082) is (5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

What is the SMILES notation for (5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?

The canonical SMILES for (5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1ccc(COC[C@@H]2CCc3nc(-c4ccc(OC)cc4)c(-c4ccncc4)n32)cc1.

What is the InChIKey of (5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?

The InChIKey is CEGXJEDQWIULBZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-31-23-8-3-19(4-9-23)17-33-18-22-7-12-25-29-26(20-5-10-24(32-2)11-6-20)27(30(22)25)21-13-15-28-16-14-21/h3-6,8-11,13-16,22H,7,12,17-18H2,1-2H3/t22-/m0/s1.

What are the key properties of (5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?

(5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 441.53 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 59641082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).