1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one

C16H20N4O2 — CID 118061120

IUPAC1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one
SMILESCn1ccc(N2CCN(CCOCc3ccccc3)C2=O)n1
InChIInChI=1S/C16H20N4O2/c1-18-8-7-15(17-18)20-10-9-19(16(20)21)11-12-22-13-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3
InChIKeyORCYREONMAWPRU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.88
Rot. Bonds6

About 1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one

1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one (PubChem CID 118061120) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one
PubChem CID118061120
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one
SMILESCn1ccc(N2CCN(CCOCc3ccccc3)C2=O)n1
InChIInChI=1S/C16H20N4O2/c1-18-8-7-15(17-18)20-10-9-19(16(20)21)11-12-22-13-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3
InChIKeyORCYREONMAWPRU-UHFFFAOYSA-N
XLogP1.88
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one (CID 118061120) is 1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one is Cn1ccc(N2CCN(CCOCc3ccccc3)C2=O)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one?
The InChIKey is ORCYREONMAWPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-18-8-7-15(17-18)20-10-9-19(16(20)21)11-12-22-13-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one?
1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one has a molecular weight of 300.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-(2-phenylmethoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 118061120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).