3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide

C21H23N5O3 — CID 55866691

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide (PubChem CID 55866691) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
• PubChem CID: 55866691
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
• SMILES: CCn1c(=O)n(CCC(=O)NC(C)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc21
• InChI: InChI=1S/C21H23N5O3/c1-3-25-17-6-4-5-7-18(17)26(21(25)29)11-10-19(27)22-13(2)14-8-9-15-16(12-14)24-20(28)23-15/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,27)(H2,23,24,28)
• InChIKey: FCPVZFYFGQDBGM-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 104.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide?

The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide (CID 55866691) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide.

What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide?

The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide is CCn1c(=O)n(CCC(=O)NC(C)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc21.

What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide?

The InChIKey is FCPVZFYFGQDBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-3-25-17-6-4-5-7-18(17)26(21(25)29)11-10-19(27)22-13(2)14-8-9-15-16(12-14)24-20(28)23-15/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,27)(H2,23,24,28).

What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide?

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide has a molecular weight of 393.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 55866691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).