5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide

C27H26FN3O4 — CID 53115204

About 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide (PubChem CID 53115204) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
• PubChem CID: 53115204
• Molecular Formula: C27H26FN3O4
• Molecular Weight: 475.52 g/mol
• Exact Mass: 475.19
• IUPAC Name: 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
• SMILES: COc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1OC
• InChI: InChI=1S/C27H26FN3O4/c1-33-21-12-11-19(15-24(21)34-2)30-27(32)23-14-13-22(35-23)26-25(17-7-9-18(28)10-8-17)29-16-31(26)20-5-3-4-6-20/h7-16,20H,3-6H2,1-2H3,(H,30,32)
• InChIKey: SENWNDLDAHBDSA-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 78.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.52
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?

The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide (CID 53115204) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide.

What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?

The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1OC.

What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?

The InChIKey is SENWNDLDAHBDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-33-21-12-11-19(15-24(21)34-2)30-27(32)23-14-13-22(35-23)26-25(17-7-9-18(28)10-8-17)29-16-31(26)20-5-3-4-6-20/h7-16,20H,3-6H2,1-2H3,(H,30,32).

What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 53115204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).