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

C28H29N3O3 — CID 53115285

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

5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 53115285) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• PubChem CID: 53115285
• Molecular Formula: C28H29N3O3
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.22
• IUPAC Name: 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• SMILES: COc1ccc(CNC(=O)c2ccc(-c3c(-c4ccc(C)cc4)ncn3C3CCCC3)o2)cc1
• InChI: InChI=1S/C28H29N3O3/c1-19-7-11-21(12-8-19)26-27(31(18-30-26)22-5-3-4-6-22)24-15-16-25(34-24)28(32)29-17-20-9-13-23(33-2)14-10-20/h7-16,18,22H,3-6,17H2,1-2H3,(H,29,32)
• InChIKey: XTPCSNLMWPSVNR-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 53115285) is 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

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

The canonical SMILES for 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(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-methoxyphenyl)methyl]furan-2-carboxamide?

The InChIKey is XTPCSNLMWPSVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-19-7-11-21(12-8-19)26-27(31(18-30-26)22-5-3-4-6-22)24-15-16-25(34-24)28(32)29-17-20-9-13-23(33-2)14-10-20/h7-16,18,22H,3-6,17H2,1-2H3,(H,29,32).

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

5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 53115285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).