5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione

C16H15N3O4 — CID 122149444

IUPAC5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1ncccc1C(=O)CN1C(=O)NC(C)(c2ccco2)C1=O
InChIInChI=1S/C16H15N3O4/c1-10-11(5-3-7-17-10)12(20)9-19-14(21)16(2,18-15(19)22)13-6-4-8-23-13/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyHXQHTHUWPSFCMC-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.63
Rot. Bonds4

About 5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione

5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 122149444) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID122149444
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1ncccc1C(=O)CN1C(=O)NC(C)(c2ccco2)C1=O
InChIInChI=1S/C16H15N3O4/c1-10-11(5-3-7-17-10)12(20)9-19-14(21)16(2,18-15(19)22)13-6-4-8-23-13/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyHXQHTHUWPSFCMC-UHFFFAOYSA-N
XLogP1.63
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51259022
(5R)-5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 9451712
tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 51259018
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786
5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 51249918
5-(furan-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 24520101
(5R)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 27110056
5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 24520074
(5S)-3-[2-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 41271458
(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
N-(4-ethoxyphenyl)-2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92785323
5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione
CID 103071810

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione (CID 122149444) is 5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione is Cc1ncccc1C(=O)CN1C(=O)NC(C)(c2ccco2)C1=O.
What is the InChIKey of 5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is HXQHTHUWPSFCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-11(5-3-7-17-10)12(20)9-19-14(21)16(2,18-15(19)22)13-6-4-8-23-13/h3-8H,9H2,1-2H3,(H,18,22).
What are the key properties of 5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione?
5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 313.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 122149444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).