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

C11H10FN3O — CID 58877839

IUPAC4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile
SMILESCN1CCN(c2cc(F)ccc2C#N)C1=O
InChIInChI=1S/C11H10FN3O/c1-14-4-5-15(11(14)16)10-6-9(12)3-2-8(10)7-13/h2-3,6H,4-5H2,1H3
InChIKeyJNQWMKGJRMIZGP-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.57
Rot. Bonds1

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

4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile (PubChem CID 58877839) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile
PubChem CID58877839
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile
SMILESCN1CCN(c2cc(F)ccc2C#N)C1=O
InChIInChI=1S/C11H10FN3O/c1-14-4-5-15(11(14)16)10-6-9(12)3-2-8(10)7-13/h2-3,6H,4-5H2,1H3
InChIKeyJNQWMKGJRMIZGP-UHFFFAOYSA-N
XLogP1.57
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile?
The IUPAC name of 4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile (CID 58877839) is 4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile.
What is the SMILES notation for 4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile?
The canonical SMILES for 4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile is CN1CCN(c2cc(F)ccc2C#N)C1=O.
What is the InChIKey of 4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile?
The InChIKey is JNQWMKGJRMIZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-14-4-5-15(11(14)16)10-6-9(12)3-2-8(10)7-13/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile?
4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile has a molecular weight of 219.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile is sourced from PubChem (CID 58877839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).