6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile

C18H12F2N4O3 — CID 155554162

IUPAC6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile
SMILESCC1(c2ccc(C#N)cn2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H12F2N4O3/c1-18(15-5-2-10(7-21)8-22-15)16(26)24(17(27)23-18)9-14(25)12-4-3-11(19)6-13(12)20/h2-6,8H,9H2,1H3,(H,23,27)
InChIKeyMGYRVVCRIUZFNX-UHFFFAOYSA-N
MW370.32 g/mol
LogP1.88
Rot. Bonds4

About 6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile

6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile (PubChem CID 155554162) has the molecular formula C18H12F2N4O3 and a molecular weight of 370.32 g/mol. Its IUPAC name is 6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile
PubChem CID155554162
Molecular FormulaC18H12F2N4O3
Molecular Weight370.32 g/mol
Exact Mass370.09
IUPAC Name6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile
SMILESCC1(c2ccc(C#N)cn2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H12F2N4O3/c1-18(15-5-2-10(7-21)8-22-15)16(26)24(17(27)23-18)9-14(25)12-4-3-11(19)6-13(12)20/h2-6,8H,9H2,1H3,(H,23,27)
InChIKeyMGYRVVCRIUZFNX-UHFFFAOYSA-N
XLogP1.88
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile (CID 155554162) is 6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile is CC1(c2ccc(C#N)cn2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is MGYRVVCRIUZFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O3/c1-18(15-5-2-10(7-21)8-22-15)16(26)24(17(27)23-18)9-14(25)12-4-3-11(19)6-13(12)20/h2-6,8H,9H2,1H3,(H,23,27).
What are the key properties of 6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile?
6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 370.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 155554162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).