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

C29H31N3O2 — CID 53115293

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

5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide (PubChem CID 53115293) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide
• PubChem CID: 53115293
• Molecular Formula: C29H31N3O2
• Molecular Weight: 453.59 g/mol
• Exact Mass: 453.24
• IUPAC Name: 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide
• SMILES: CCc1ccc(CNC(=O)c2ccc(-c3c(-c4ccc(C)cc4)ncn3C3CCCC3)o2)cc1
• InChI: InChI=1S/C29H31N3O2/c1-3-21-10-12-22(13-11-21)18-30-29(33)26-17-16-25(34-26)28-27(23-14-8-20(2)9-15-23)31-19-32(28)24-6-4-5-7-24/h8-17,19,24H,3-7,18H2,1-2H3,(H,30,33)
• InChIKey: WYNFSFCTQHSPNI-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 60.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.59
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide (CID 53115293) is 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide.

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

The canonical SMILES for 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide is CCc1ccc(CNC(=O)c2ccc(-c3c(-c4ccc(C)cc4)ncn3C3CCCC3)o2)cc1.

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

The InChIKey is WYNFSFCTQHSPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-3-21-10-12-22(13-11-21)18-30-29(33)26-17-16-25(34-26)28-27(23-14-8-20(2)9-15-23)31-19-32(28)24-6-4-5-7-24/h8-17,19,24H,3-7,18H2,1-2H3,(H,30,33).

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

5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 53115293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).