5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide

C25H25N3O3 — CID 56577149

About 5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide

5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide (PubChem CID 56577149) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
• PubChem CID: 56577149
• Molecular Formula: C25H25N3O3
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.19
• IUPAC Name: 5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
• SMILES: Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cn4ccnc4C)cc3)o2)c(C)c1
• InChI: InChI=1S/C25H25N3O3/c1-17-4-10-23(18(2)14-17)30-16-22-9-11-24(31-22)25(29)27-21-7-5-20(6-8-21)15-28-13-12-26-19(28)3/h4-14H,15-16H2,1-3H3,(H,27,29)
• InChIKey: HCVZSELGHBKVKZ-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide?

The IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide (CID 56577149) is 5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide?

The canonical SMILES for 5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cn4ccnc4C)cc3)o2)c(C)c1.

What is the InChIKey of 5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide?

The InChIKey is HCVZSELGHBKVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-4-10-23(18(2)14-17)30-16-22-9-11-24(31-22)25(29)27-21-7-5-20(6-8-21)15-28-13-12-26-19(28)3/h4-14H,15-16H2,1-3H3,(H,27,29).

What are the key properties of 5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide?

5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 56577149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).