1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

C24H32N6O2 — CID 55738123

About 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (PubChem CID 55738123) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
• PubChem CID: 55738123
• Molecular Formula: C24H32N6O2
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.26
• IUPAC Name: 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
• SMILES: CCN1CCN(Cc2ccccc2CNC(=O)Nc2cccc(N3CCNC3=O)c2)CC1
• InChI: InChI=1S/C24H32N6O2/c1-2-28-12-14-29(15-13-28)18-20-7-4-3-6-19(20)17-26-23(31)27-21-8-5-9-22(16-21)30-11-10-25-24(30)32/h3-9,16H,2,10-15,17-18H2,1H3,(H,25,32)(H2,26,27,31)
• InChIKey: IITFNFIXFBVGPP-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 79.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?

The IUPAC name of 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (CID 55738123) is 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.

What is the SMILES notation for 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?

The canonical SMILES for 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is CCN1CCN(Cc2ccccc2CNC(=O)Nc2cccc(N3CCNC3=O)c2)CC1.

What is the InChIKey of 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?

The InChIKey is IITFNFIXFBVGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-2-28-12-14-29(15-13-28)18-20-7-4-3-6-19(20)17-26-23(31)27-21-8-5-9-22(16-21)30-11-10-25-24(30)32/h3-9,16H,2,10-15,17-18H2,1H3,(H,25,32)(H2,26,27,31).

What are the key properties of 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?

1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 436.56 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 55738123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).