1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C20H20N4O4 — CID 48806971

About 1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 48806971) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

• Compound Name: 1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
• PubChem CID: 48806971
• Molecular Formula: C20H20N4O4
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.15
• IUPAC Name: 1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
• SMILES: O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)N[C@@H]1c2ccccc2C[C@@H]1O
• InChI: InChI=1S/C20H20N4O4/c25-16-9-13-5-1-2-7-15(13)18(16)23-19(27)22-14-6-3-4-12(8-14)11-24-17(26)10-21-20(24)28/h1-8,16,18,25H,9-11H2,(H,21,28)(H2,22,23,27)/t16-,18+/m0/s1
• InChIKey: NXOMIMXEUCNHTE-FUHWJXTLSA-N
• XLogP: 1.52
• TPSA: 110.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?

The IUPAC name of 1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 48806971) is 1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

What is the SMILES notation for 1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?

The canonical SMILES for 1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)N[C@@H]1c2ccccc2C[C@@H]1O.

What is the InChIKey of 1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?

The InChIKey is NXOMIMXEUCNHTE-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-16-9-13-5-1-2-7-15(13)18(16)23-19(27)22-14-6-3-4-12(8-14)11-24-17(26)10-21-20(24)28/h1-8,16,18,25H,9-11H2,(H,21,28)(H2,22,23,27)/t16-,18+/m0/s1.

What are the key properties of 1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?

1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 380.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 48806971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).