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

C18H20N6O4 — CID 137073207

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

6-hydroxy-1,3-dimethyl-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 137073207) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-hydroxy-1,3-dimethyl-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
• PubChem CID: 137073207
• Molecular Formula: C18H20N6O4
• Molecular Weight: 384.40 g/mol
• Exact Mass: 384.15
• IUPAC Name: 6-hydroxy-1,3-dimethyl-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
• SMILES: Cn1c(O)c(/C=N/c2cc3[nH]c(=O)[nH]c3cc2N2CCCC2)c(=O)n(C)c1=O
• InChI: InChI=1S/C18H20N6O4/c1-22-15(25)10(16(26)23(2)18(22)28)9-19-13-7-11-12(21-17(27)20-11)8-14(13)24-5-3-4-6-24/h7-9,25H,3-6H2,1-2H3,(H2,20,21,27)/b19-9+
• InChIKey: SNDAIWXOUYABGO-DJKKODMXSA-N
• XLogP: 0.31
• TPSA: 128.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.40
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	3
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-1,3-dimethyl-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione?

The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione (CID 137073207) is 6-hydroxy-1,3-dimethyl-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione.

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

The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2cc3[nH]c(=O)[nH]c3cc2N2CCCC2)c(=O)n(C)c1=O.

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

The InChIKey is SNDAIWXOUYABGO-DJKKODMXSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-22-15(25)10(16(26)23(2)18(22)28)9-19-13-7-11-12(21-17(27)20-11)8-14(13)24-5-3-4-6-24/h7-9,25H,3-6H2,1-2H3,(H2,20,21,27)/b19-9+.

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

6-hydroxy-1,3-dimethyl-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 384.40 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-1,3-dimethyl-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 137073207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).