4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione

C18H18FN3O3 — CID 91429221

IUPAC4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione
SMILESCC(C)N1CC(C(=O)c2cncn2Cc2ccc(F)cc2)C(=O)C1=O
InChIInChI=1S/C18H18FN3O3/c1-11(2)22-9-14(17(24)18(22)25)16(23)15-7-20-10-21(15)8-12-3-5-13(19)6-4-12/h3-7,10-11,14H,8-9H2,1-2H3
InChIKeyCNRRNFJEIWKOEG-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.69
Rot. Bonds5

About 4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione

4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione (PubChem CID 91429221) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione
PubChem CID91429221
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione
SMILESCC(C)N1CC(C(=O)c2cncn2Cc2ccc(F)cc2)C(=O)C1=O
InChIInChI=1S/C18H18FN3O3/c1-11(2)22-9-14(17(24)18(22)25)16(23)15-7-20-10-21(15)8-12-3-5-13(19)6-4-12/h3-7,10-11,14H,8-9H2,1-2H3
InChIKeyCNRRNFJEIWKOEG-UHFFFAOYSA-N
XLogP1.69
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione
CID 91601177
4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione
CID 91152055
methyl (Z)-5-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]-4-hydroxy-2,5-dioxopent-3-enoate
CID 87151785
5-cyclopropyl-1-[(4-fluorophenyl)methyl]imidazole
CID 116811649
3-benzylimidazole-4-carboxylic acid;hydrochloride
CID 140831521
2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209
1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 46705210
(3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401620
4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione
CID 91100619
N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 90692035
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56868776
1-[(4-fluorophenyl)methyl]-4-(3-methylbutyl)pyrazine-2,3-dione
CID 163349719

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione (CID 91429221) is 4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione is CC(C)N1CC(C(=O)c2cncn2Cc2ccc(F)cc2)C(=O)C1=O.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione?
The InChIKey is CNRRNFJEIWKOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-11(2)22-9-14(17(24)18(22)25)16(23)15-7-20-10-21(15)8-12-3-5-13(19)6-4-12/h3-7,10-11,14H,8-9H2,1-2H3.
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione?
4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione has a molecular weight of 343.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 91429221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).