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

C22H19ClN6O5 — CID 137073293

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

1-(2-chlorophenyl)-6-hydroxy-5-[(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 137073293) has the molecular formula C22H19ClN6O5 and a molecular weight of 482.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-hydroxy-5-[(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-6-hydroxy-5-[(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
• PubChem CID: 137073293
• Molecular Formula: C22H19ClN6O5
• Molecular Weight: 482.88 g/mol
• Exact Mass: 482.11
• IUPAC Name: 1-(2-chlorophenyl)-6-hydroxy-5-[(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
• SMILES: O=c1[nH]c2cc(/N=C/c3c(O)n(-c4ccccc4Cl)c(=O)[nH]c3=O)c(N3CCOCC3)cc2[nH]1
• InChI: InChI=1S/C22H19ClN6O5/c23-13-3-1-2-4-17(13)29-20(31)12(19(30)27-22(29)33)11-24-16-9-14-15(26-21(32)25-14)10-18(16)28-5-7-34-8-6-28/h1-4,9-11,31H,5-8H2,(H2,25,26,32)(H,27,30,33)/b24-11+
• InChIKey: GCAAXPZCGGTDNS-BHGWPJFGSA-N
• XLogP: 1.64
• TPSA: 148.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.88
LogP ≤ 5	1.64
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 1-(2-chlorophenyl)-6-hydroxy-5-[(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione?

The IUPAC name of 1-(2-chlorophenyl)-6-hydroxy-5-[(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione (CID 137073293) is 1-(2-chlorophenyl)-6-hydroxy-5-[(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione.

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

The canonical SMILES for 1-(2-chlorophenyl)-6-hydroxy-5-[(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione is O=c1[nH]c2cc(/N=C/c3c(O)n(-c4ccccc4Cl)c(=O)[nH]c3=O)c(N3CCOCC3)cc2[nH]1.

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

The InChIKey is GCAAXPZCGGTDNS-BHGWPJFGSA-N. The full InChI is InChI=1S/C22H19ClN6O5/c23-13-3-1-2-4-17(13)29-20(31)12(19(30)27-22(29)33)11-24-16-9-14-15(26-21(32)25-14)10-18(16)28-5-7-34-8-6-28/h1-4,9-11,31H,5-8H2,(H2,25,26,32)(H,27,30,33)/b24-11+.

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

1-(2-chlorophenyl)-6-hydroxy-5-[(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 482.88 g/mol, XLogP of 1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-6-hydroxy-5-[(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 137073293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).