4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C26H30F2N2O3 — CID 91512296

About 4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 91512296) has the molecular formula C26H30F2N2O3 and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 91512296
• Molecular Formula: C26H30F2N2O3
• Molecular Weight: 456.53 g/mol
• Exact Mass: 456.22
• IUPAC Name: 4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: COc1c(F)cc(Cc2[nH]c(=O)[nH]c2O)c(F)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C26H30F2N2O3/c1-13-9-16-17(26(4,5)8-7-25(16,2)3)12-15(13)20-21(28)14(10-18(27)22(20)33-6)11-19-23(31)30-24(32)29-19/h9-10,12,31H,7-8,11H2,1-6H3,(H2,29,30,32)
• InChIKey: PBHGTYNRXMTQOL-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 78.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.53
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 91512296) is 4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is COc1c(F)cc(Cc2[nH]c(=O)[nH]c2O)c(F)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.

What is the InChIKey of 4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The InChIKey is PBHGTYNRXMTQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2O3/c1-13-9-16-17(26(4,5)8-7-25(16,2)3)12-15(13)20-21(28)14(10-18(27)22(20)33-6)11-19-23(31)30-24(32)29-19/h9-10,12,31H,7-8,11H2,1-6H3,(H2,29,30,32).

What are the key properties of 4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 456.53 g/mol, XLogP of 5.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 91512296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).