2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

C23H20ClN3O3S — CID 20851990

About 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 20851990) has the molecular formula C23H20ClN3O3S and a molecular weight of 453.95 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 20851990
• Molecular Formula: C23H20ClN3O3S
• Molecular Weight: 453.95 g/mol
• Exact Mass: 453.09
• IUPAC Name: 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
• SMILES: COc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NCc2ccco2)cc1
• InChI: InChI=1S/C23H20ClN3O3S/c1-29-18-10-6-15(7-11-18)21-23(27-22(26-21)16-4-8-17(24)9-5-16)31-14-20(28)25-13-19-3-2-12-30-19/h2-12H,13-14H2,1H3,(H,25,28)(H,26,27)
• InChIKey: CNQBIPNZJCXBBV-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 80.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.95
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 20851990) is 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is COc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NCc2ccco2)cc1.

What is the InChIKey of 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?

The InChIKey is CNQBIPNZJCXBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S/c1-29-18-10-6-15(7-11-18)21-23(27-22(26-21)16-4-8-17(24)9-5-16)31-14-20(28)25-13-19-3-2-12-30-19/h2-12H,13-14H2,1H3,(H,25,28)(H,26,27).

What are the key properties of 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?

2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 453.95 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 20851990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).