N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide

C22H18N4O5 — CID 17029284

About N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide

N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 17029284) has the molecular formula C22H18N4O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
• PubChem CID: 17029284
• Molecular Formula: C22H18N4O5
• Molecular Weight: 418.41 g/mol
• Exact Mass: 418.13
• IUPAC Name: N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
• SMILES: O=C(Cn1c(CNC(=O)c2ccco2)nc2ccccc21)Nc1ccc2c(c1)OCO2
• InChI: InChI=1S/C22H18N4O5/c27-21(24-14-7-8-17-19(10-14)31-13-30-17)12-26-16-5-2-1-4-15(16)25-20(26)11-23-22(28)18-6-3-9-29-18/h1-10H,11-13H2,(H,23,28)(H,24,27)
• InChIKey: ABQLGIJAYQFOLJ-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 107.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.41
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?

The IUPAC name of N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (CID 17029284) is N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?

The canonical SMILES for N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is O=C(Cn1c(CNC(=O)c2ccco2)nc2ccccc21)Nc1ccc2c(c1)OCO2.

What is the InChIKey of N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?

The InChIKey is ABQLGIJAYQFOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5/c27-21(24-14-7-8-17-19(10-14)31-13-30-17)12-26-16-5-2-1-4-15(16)25-20(26)11-23-22(28)18-6-3-9-29-18/h1-10H,11-13H2,(H,23,28)(H,24,27).

What are the key properties of N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?

N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 418.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 17029284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).