3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C15H14ClFN4O2 — CID 78815317

IUPAC3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1C(=O)N(Cc2ncc(Cl)n2C)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H14ClFN4O2/c1-9-14(22)20(8-13-18-7-12(16)19(13)2)15(23)21(9)11-5-3-10(17)4-6-11/h3-7,9H,8H2,1-2H3
InChIKeyMDWQAPNLFNJKOW-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.57
Rot. Bonds3

About 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 78815317) has the molecular formula C15H14ClFN4O2 and a molecular weight of 336.75 g/mol. Its IUPAC name is 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID78815317
Molecular FormulaC15H14ClFN4O2
Molecular Weight336.75 g/mol
Exact Mass336.08
IUPAC Name3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1C(=O)N(Cc2ncc(Cl)n2C)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H14ClFN4O2/c1-9-14(22)20(8-13-18-7-12(16)19(13)2)15(23)21(9)11-5-3-10(17)4-6-11/h3-7,9H,8H2,1-2H3
InChIKeyMDWQAPNLFNJKOW-UHFFFAOYSA-N
XLogP2.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 97002751
3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione
CID 17494209
1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 56797095
(5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 95303849
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione
CID 51075561
1-(4-fluorophenyl)-5-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione
CID 51182731
1-(4-fluorophenyl)-5-methyl-3-[(2-propan-2-yloxyphenyl)methyl]imidazolidine-2,4-dione
CID 55884085
(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 39959090
3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 18194708
5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole
CID 60667995
1-(4-fluorophenyl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 42895022
N-(2-chloro-4-fluorophenyl)-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51182666

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 78815317) is 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is CC1C(=O)N(Cc2ncc(Cl)n2C)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is MDWQAPNLFNJKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O2/c1-9-14(22)20(8-13-18-7-12(16)19(13)2)15(23)21(9)11-5-3-10(17)4-6-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 336.75 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 78815317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).