2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C20H30N6O3 — CID 78828727

About 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 78828727) has the molecular formula C20H30N6O3 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

• Compound Name: 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
• PubChem CID: 78828727
• Molecular Formula: C20H30N6O3
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.24
• IUPAC Name: 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
• SMILES: CCN(CC)C(=O)CN1CCN(C(C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1
• InChI: InChI=1S/C20H30N6O3/c1-4-25(5-2)18(27)13-24-8-10-26(11-9-24)14(3)19(28)21-15-6-7-16-17(12-15)23-20(29)22-16/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,21,28)(H2,22,23,29)
• InChIKey: CCGKOCMKVLCUKO-UHFFFAOYSA-N
• XLogP: 0.67
• TPSA: 104.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?

The IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 78828727) is 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

What is the SMILES notation for 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?

The canonical SMILES for 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CCN(CC)C(=O)CN1CCN(C(C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1.

What is the InChIKey of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?

The InChIKey is CCGKOCMKVLCUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O3/c1-4-25(5-2)18(27)13-24-8-10-26(11-9-24)14(3)19(28)21-15-6-7-16-17(12-15)23-20(29)22-16/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,21,28)(H2,22,23,29).

What are the key properties of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?

2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 402.50 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 78828727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).