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

C26H23ClFN3O2 — CID 53115200

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

N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53115200) has the molecular formula C26H23ClFN3O2 and a molecular weight of 463.94 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
• PubChem CID: 53115200
• Molecular Formula: C26H23ClFN3O2
• Molecular Weight: 463.94 g/mol
• Exact Mass: 463.15
• IUPAC Name: N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
• SMILES: O=C(NCc1cccc(Cl)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
• InChI: InChI=1S/C26H23ClFN3O2/c27-19-5-3-4-17(14-19)15-29-26(32)23-13-12-22(33-23)25-24(18-8-10-20(28)11-9-18)30-16-31(25)21-6-1-2-7-21/h3-5,8-14,16,21H,1-2,6-7,15H2,(H,29,32)
• InChIKey: VUOBIJOLCXCZNJ-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 60.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.94
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53115200) is N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.

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

The InChIKey is VUOBIJOLCXCZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O2/c27-19-5-3-4-17(14-19)15-29-26(32)23-13-12-22(33-23)25-24(18-8-10-20(28)11-9-18)30-16-31(25)21-6-1-2-7-21/h3-5,8-14,16,21H,1-2,6-7,15H2,(H,29,32).

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

N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53115200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).