1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one

C21H25N7O2 — CID 74762991

About 1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one

1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one (PubChem CID 74762991) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one
• PubChem CID: 74762991
• Molecular Formula: C21H25N7O2
• Molecular Weight: 407.48 g/mol
• Exact Mass: 407.21
• IUPAC Name: 1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one
• SMILES: Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(N2CCN(CCO)C2=O)n1
• InChI: InChI=1S/C21H25N7O2/c1-14-22-18(11-19(23-14)28-8-7-26(9-10-29)21(28)30)27-12-15(13-27)20-24-16-5-3-4-6-17(16)25(20)2/h3-6,11,15,29H,7-10,12-13H2,1-2H3
• InChIKey: DRHBBXLNMAWWOR-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 90.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.48
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one?

The IUPAC name of 1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one (CID 74762991) is 1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one.

What is the SMILES notation for 1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one?

The canonical SMILES for 1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one is Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(N2CCN(CCO)C2=O)n1.

What is the InChIKey of 1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one?

The InChIKey is DRHBBXLNMAWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-14-22-18(11-19(23-14)28-8-7-26(9-10-29)21(28)30)27-12-15(13-27)20-24-16-5-3-4-6-17(16)25(20)2/h3-6,11,15,29H,7-10,12-13H2,1-2H3.

What are the key properties of 1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one?

1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one has a molecular weight of 407.48 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 74762991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).