5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione

C21H20N4O4 — CID 121473158

IUPAC5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione
SMILESCOc1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)C(=O)C2CO)c1
InChIInChI=1S/C21H20N4O4/c1-29-18-4-2-3-14(9-18)12-24-19(13-26)20(27)25(21(24)28)17-7-5-15(6-8-17)16-10-22-23-11-16/h2-11,19,26H,12-13H2,1H3,(H,22,23)
InChIKeyLGSYJKNZJDHFDF-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.41
Rot. Bonds6

About 5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione

5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 121473158) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione
PubChem CID121473158
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione
SMILESCOc1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)C(=O)C2CO)c1
InChIInChI=1S/C21H20N4O4/c1-29-18-4-2-3-14(9-18)12-24-19(13-26)20(27)25(21(24)28)17-7-5-15(6-8-17)16-10-22-23-11-16/h2-11,19,26H,12-13H2,1H3,(H,22,23)
InChIKeyLGSYJKNZJDHFDF-UHFFFAOYSA-N
XLogP2.41
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione (CID 121473158) is 5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione is COc1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)C(=O)C2CO)c1.
What is the InChIKey of 5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is LGSYJKNZJDHFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-29-18-4-2-3-14(9-18)12-24-19(13-26)20(27)25(21(24)28)17-7-5-15(6-8-17)16-10-22-23-11-16/h2-11,19,26H,12-13H2,1H3,(H,22,23).
What are the key properties of 5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione?
5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 392.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121473158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).