N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C25H24N4O3 — CID 16973566

About N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 16973566) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
• PubChem CID: 16973566
• Molecular Formula: C25H24N4O3
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.18
• IUPAC Name: N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
• SMILES: CC(NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)N1CCCc2ccccc21
• InChI: InChI=1S/C25H24N4O3/c1-17(26-25(31)22-13-7-15-32-22)24-27-19-10-3-5-12-21(19)29(24)16-23(30)28-14-6-9-18-8-2-4-11-20(18)28/h2-5,7-8,10-13,15,17H,6,9,14,16H2,1H3,(H,26,31)
• InChIKey: VYMFLMADLXUWKL-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?

The IUPAC name of N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 16973566) is N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

What is the SMILES notation for N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?

The canonical SMILES for N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is CC(NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)N1CCCc2ccccc21.

What is the InChIKey of N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?

The InChIKey is VYMFLMADLXUWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-17(26-25(31)22-13-7-15-32-22)24-27-19-10-3-5-12-21(19)29(24)16-23(30)28-14-6-9-18-8-2-4-11-20(18)28/h2-5,7-8,10-13,15,17H,6,9,14,16H2,1H3,(H,26,31).

What are the key properties of N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?

N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 16973566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).