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'}

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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).