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

C19H18N4O4 — CID 71176706

IUPAC5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3ccc(C)cn3)NC(=O)NC1=O)C2
InChIInChI=1S/C19H18N4O4/c1-11-3-6-15(20-8-11)19(17(25)21-18(26)22-19)10-23-9-12-4-5-13(27-2)7-14(12)16(23)24/h3-8H,9-10H2,1-2H3,(H2,21,22,25,26)
InChIKeyCPJCKBYOWWBMBQ-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.09
Rot. Bonds4

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

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione (PubChem CID 71176706) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione
PubChem CID71176706
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3ccc(C)cn3)NC(=O)NC1=O)C2
InChIInChI=1S/C19H18N4O4/c1-11-3-6-15(20-8-11)19(17(25)21-18(26)22-19)10-23-9-12-4-5-13(27-2)7-14(12)16(23)24/h3-8H,9-10H2,1-2H3,(H2,21,22,25,26)
InChIKeyCPJCKBYOWWBMBQ-UHFFFAOYSA-N
XLogP1.09
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143512854
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 24889700
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione
CID 24888848
(5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 158870735
5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 126748420
5-ethyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75224389
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione
CID 24888849
5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 76680334
(5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58053132
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
CID 24889697
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopropyl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 58053905

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione (CID 71176706) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3ccc(C)cn3)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione?
The InChIKey is CPJCKBYOWWBMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-11-3-6-15(20-8-11)19(17(25)21-18(26)22-19)10-23-9-12-4-5-13(27-2)7-14(12)16(23)24/h3-8H,9-10H2,1-2H3,(H2,21,22,25,26).
What are the key properties of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione?
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 366.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 71176706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).