N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide

C28H30N4O3 — CID 46145519

About N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide

N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 46145519) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
• PubChem CID: 46145519
• Molecular Formula: C28H30N4O3
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.23
• IUPAC Name: N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
• SMILES: Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC(C)C)C(=O)c3ccco3)n2)cc1
• InChI: InChI=1S/C28H30N4O3/c1-19(2)16-31(27(34)25-6-5-15-35-25)18-26(33)30-28-29-24(22-11-7-20(3)8-12-22)17-32(28)23-13-9-21(4)10-14-23/h5-15,17,19H,16,18H2,1-4H3,(H,29,30,33)
• InChIKey: UTXJJODFSMGEGK-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?

The IUPAC name of N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide (CID 46145519) is N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide.

What is the SMILES notation for N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?

The canonical SMILES for N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide is Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC(C)C)C(=O)c3ccco3)n2)cc1.

What is the InChIKey of N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?

The InChIKey is UTXJJODFSMGEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-19(2)16-31(27(34)25-6-5-15-35-25)18-26(33)30-28-29-24(22-11-7-20(3)8-12-22)17-32(28)23-13-9-21(4)10-14-23/h5-15,17,19H,16,18H2,1-4H3,(H,29,30,33).

What are the key properties of N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?

N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 46145519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).