6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione

C24H24N6O5 — CID 137074119

About 6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione

6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 137074119) has the molecular formula C24H24N6O5 and a molecular weight of 476.49 g/mol. Its IUPAC name is 6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
• PubChem CID: 137074119
• Molecular Formula: C24H24N6O5
• Molecular Weight: 476.49 g/mol
• Exact Mass: 476.18
• IUPAC Name: 6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
• SMILES: COc1ccc(-n2c(O)c(/C=N/c3cc4[nH]c(=O)[nH]c4cc3N3CCCCC3)c(=O)[nH]c2=O)cc1
• InChI: InChI=1S/C24H24N6O5/c1-35-15-7-5-14(6-8-15)30-22(32)16(21(31)28-24(30)34)13-25-19-11-17-18(27-23(33)26-17)12-20(19)29-9-3-2-4-10-29/h5-8,11-13,32H,2-4,9-10H2,1H3,(H2,26,27,33)(H,28,31,34)/b25-13+
• InChIKey: UFZFXZRZRHLKEF-DHRITJCHSA-N
• XLogP: 2.15
• TPSA: 148.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.49
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione?

The IUPAC name of 6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione (CID 137074119) is 6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione?

The canonical SMILES for 6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione is COc1ccc(-n2c(O)c(/C=N/c3cc4[nH]c(=O)[nH]c4cc3N3CCCCC3)c(=O)[nH]c2=O)cc1.

What is the InChIKey of 6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione?

The InChIKey is UFZFXZRZRHLKEF-DHRITJCHSA-N. The full InChI is InChI=1S/C24H24N6O5/c1-35-15-7-5-14(6-8-15)30-22(32)16(21(31)28-24(30)34)13-25-19-11-17-18(27-23(33)26-17)12-20(19)29-9-3-2-4-10-29/h5-8,11-13,32H,2-4,9-10H2,1H3,(H2,26,27,33)(H,28,31,34)/b25-13+.

What are the key properties of 6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione?

6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 476.49 g/mol, XLogP of 2.15, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 137074119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).