N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide

C23H30N4O3 — CID 16982012

About N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide

N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide (PubChem CID 16982012) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
• PubChem CID: 16982012
• Molecular Formula: C23H30N4O3
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.23
• IUPAC Name: N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
• SMILES: CC(C)N(C(=O)Cn1c(CCCNC(=O)c2ccco2)nc2ccccc21)C(C)C
• InChI: InChI=1S/C23H30N4O3/c1-16(2)27(17(3)4)22(28)15-26-19-10-6-5-9-18(19)25-21(26)12-7-13-24-23(29)20-11-8-14-30-20/h5-6,8-11,14,16-17H,7,12-13,15H2,1-4H3,(H,24,29)
• InChIKey: PKUANTLJGZWBDB-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?

The IUPAC name of N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide (CID 16982012) is N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?

The canonical SMILES for N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide is CC(C)N(C(=O)Cn1c(CCCNC(=O)c2ccco2)nc2ccccc21)C(C)C.

What is the InChIKey of N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?

The InChIKey is PKUANTLJGZWBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16(2)27(17(3)4)22(28)15-26-19-10-6-5-9-18(19)25-21(26)12-7-13-24-23(29)20-11-8-14-30-20/h5-6,8-11,14,16-17H,7,12-13,15H2,1-4H3,(H,24,29).

What are the key properties of N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?

N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide is sourced from PubChem (CID 16982012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).