ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate

C30H40N2O4 — CID 59015828

About ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate

ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate (PubChem CID 59015828) has the molecular formula C30H40N2O4 and a molecular weight of 492.66 g/mol. Its IUPAC name is ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate.

Molecular Properties

• Compound Name: ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate
• PubChem CID: 59015828
• Molecular Formula: C30H40N2O4
• Molecular Weight: 492.66 g/mol
• Exact Mass: 492.30
• IUPAC Name: ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate
• SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCCC2=NC(Cc3ccc(C(C)(C)C)cc3)C(=O)N2C)cc1
• InChI: InChI=1S/C30H40N2O4/c1-8-35-28(34)30(5,6)36-24-18-14-21(15-19-24)10-9-11-26-31-25(27(33)32(26)7)20-22-12-16-23(17-13-22)29(2,3)4/h12-19,25H,8-11,20H2,1-7H3
• InChIKey: GRUDXCHJVQEMTR-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 68.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.66
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate?

The IUPAC name of ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate (CID 59015828) is ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate.

What is the SMILES notation for ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate?

The canonical SMILES for ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(CCCC2=NC(Cc3ccc(C(C)(C)C)cc3)C(=O)N2C)cc1.

What is the InChIKey of ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate?

The InChIKey is GRUDXCHJVQEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O4/c1-8-35-28(34)30(5,6)36-24-18-14-21(15-19-24)10-9-11-26-31-25(27(33)32(26)7)20-22-12-16-23(17-13-22)29(2,3)4/h12-19,25H,8-11,20H2,1-7H3.

What are the key properties of ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate?

ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate has a molecular weight of 492.66 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-[3-[4-[(4-tert-butylphenyl)methyl]-1-methyl-5-oxo-4H-imidazol-2-yl]propyl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 59015828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).