2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile

C16H13FN4O — CID 59636138

IUPAC2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile
SMILESCc1ccncc1N1CCN(c2ccc(C#N)c(F)c2)C1=O
InChIInChI=1S/C16H13FN4O/c1-11-4-5-19-10-15(11)21-7-6-20(16(21)22)13-3-2-12(9-18)14(17)8-13/h2-5,8,10H,6-7H2,1H3
InChIKeyOUSUJFZWTWVGKW-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.85
Rot. Bonds2

About 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile

2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile (PubChem CID 59636138) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile
PubChem CID59636138
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile
SMILESCc1ccncc1N1CCN(c2ccc(C#N)c(F)c2)C1=O
InChIInChI=1S/C16H13FN4O/c1-11-4-5-19-10-15(11)21-7-6-20(16(21)22)13-3-2-12(9-18)14(17)8-13/h2-5,8,10H,6-7H2,1H3
InChIKeyOUSUJFZWTWVGKW-UHFFFAOYSA-N
XLogP2.85
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile (CID 59636138) is 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile is Cc1ccncc1N1CCN(c2ccc(C#N)c(F)c2)C1=O.
What is the InChIKey of 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile?
The InChIKey is OUSUJFZWTWVGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-11-4-5-19-10-15(11)21-7-6-20(16(21)22)13-3-2-12(9-18)14(17)8-13/h2-5,8,10H,6-7H2,1H3.
What are the key properties of 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile?
2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile has a molecular weight of 296.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzonitrile is sourced from PubChem (CID 59636138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).