5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one

C23H17ClN2O4 — CID 77275878

About 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one

5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one (PubChem CID 77275878) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one.

Molecular Properties

• Compound Name: 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
• PubChem CID: 77275878
• Molecular Formula: C23H17ClN2O4
• Molecular Weight: 420.85 g/mol
• Exact Mass: 420.09
• IUPAC Name: 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
• SMILES: COc1ccc(C=CC(=O)c2cccc(-n3cc(-c4ccc(Cl)o4)[nH]c3=O)c2)cc1
• InChI: InChI=1S/C23H17ClN2O4/c1-29-18-8-5-15(6-9-18)7-10-20(27)16-3-2-4-17(13-16)26-14-19(25-23(26)28)21-11-12-22(24)30-21/h2-14H,1H3,(H,25,28)
• InChIKey: CRWDUQWQPQZSCV-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 77.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.85
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one?

The IUPAC name of 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one (CID 77275878) is 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one.

What is the SMILES notation for 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one?

The canonical SMILES for 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one is COc1ccc(C=CC(=O)c2cccc(-n3cc(-c4ccc(Cl)o4)[nH]c3=O)c2)cc1.

What is the InChIKey of 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one?

The InChIKey is CRWDUQWQPQZSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c1-29-18-8-5-15(6-9-18)7-10-20(27)16-3-2-4-17(13-16)26-14-19(25-23(26)28)21-11-12-22(24)30-21/h2-14H,1H3,(H,25,28).

What are the key properties of 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one?

5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one has a molecular weight of 420.85 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 77275878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).