(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione

C17H17N5O4 — CID 46881610

IUPAC(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C17H17N5O4/c1-21-8-11(6-18-21)17(15(24)19-16(25)20-17)9-22-7-10-3-4-12(26-2)5-13(10)14(22)23/h3-6,8H,7,9H2,1-2H3,(H2,19,20,24,25)/t17-/m0/s1
InChIKeyKFLZPQZYYHUBAI-KRWDZBQOSA-N
MW355.35 g/mol
LogP0.12
Rot. Bonds4

About (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 46881610) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID46881610
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C17H17N5O4/c1-21-8-11(6-18-21)17(15(24)19-16(25)20-17)9-22-7-10-3-4-12(26-2)5-13(10)14(22)23/h3-6,8H,7,9H2,1-2H3,(H2,19,20,24,25)/t17-/m0/s1
InChIKeyKFLZPQZYYHUBAI-KRWDZBQOSA-N
XLogP0.12
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (CID 46881610) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C)c3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is KFLZPQZYYHUBAI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-21-8-11(6-18-21)17(15(24)19-16(25)20-17)9-22-7-10-3-4-12(26-2)5-13(10)14(22)23/h3-6,8H,7,9H2,1-2H3,(H2,19,20,24,25)/t17-/m0/s1.
What are the key properties of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 355.35 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 46881610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).