3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione

C16H13ClFN3O2 — CID 75524013

IUPAC3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2F)NC(=O)N(Cc2ccc(Cl)cn2)C1=O
InChIInChI=1S/C16H13ClFN3O2/c1-16(12-4-2-3-5-13(12)18)14(22)21(15(23)20-16)9-11-7-6-10(17)8-19-11/h2-8H,9H2,1H3,(H,20,23)
InChIKeyMNNQBYBYQQTHSM-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.84
Rot. Bonds3

About 3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione

3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 75524013) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID75524013
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Name3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2F)NC(=O)N(Cc2ccc(Cl)cn2)C1=O
InChIInChI=1S/C16H13ClFN3O2/c1-16(12-4-2-3-5-13(12)18)14(22)21(15(23)20-16)9-11-7-6-10(17)8-19-11/h2-8H,9H2,1H3,(H,20,23)
InChIKeyMNNQBYBYQQTHSM-UHFFFAOYSA-N
XLogP2.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 99637339
(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione
CID 99637342
(5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52780588
(5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 94821877
3'-[(5-chloro-2-pyridinyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 86815731
4-[[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 94798623
(5S)-5-(2-chlorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7180510
(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 95589593
(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183
3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 94216458
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51096214

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 75524013) is 3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccccc2F)NC(=O)N(Cc2ccc(Cl)cn2)C1=O.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is MNNQBYBYQQTHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c1-16(12-4-2-3-5-13(12)18)14(22)21(15(23)20-16)9-11-7-6-10(17)8-19-11/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of 3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 333.75 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 75524013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).