N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide

C22H24N4O4 — CID 17030299

About N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide

N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 17030299) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
• PubChem CID: 17030299
• Molecular Formula: C22H24N4O4
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.18
• IUPAC Name: N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
• SMILES: CCC(=O)NCCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C22H24N4O4/c1-2-21(27)23-10-9-20-25-16-5-3-4-6-17(16)26(20)14-22(28)24-15-7-8-18-19(13-15)30-12-11-29-18/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)(H,24,28)
• InChIKey: JYIQFUXSMLHECE-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 94.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide?

The IUPAC name of N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide (CID 17030299) is N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide.

What is the SMILES notation for N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide?

The canonical SMILES for N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide is CCC(=O)NCCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide?

The InChIKey is JYIQFUXSMLHECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-2-21(27)23-10-9-20-25-16-5-3-4-6-17(16)26(20)14-22(28)24-15-7-8-18-19(13-15)30-12-11-29-18/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)(H,24,28).

What are the key properties of N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide?

N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 408.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 17030299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).