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

C18H12F2N4O3 — CID 155550847

IUPAC5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile
SMILESCC1(c2ccc(C#N)nc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H12F2N4O3/c1-18(10-2-4-12(7-21)22-8-10)16(26)24(17(27)23-18)9-15(25)13-5-3-11(19)6-14(13)20/h2-6,8H,9H2,1H3,(H,23,27)
InChIKeyORHLRQOHHWVKKF-UHFFFAOYSA-N
MW370.32 g/mol
LogP1.88
Rot. Bonds4

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

5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile (PubChem CID 155550847) has the molecular formula C18H12F2N4O3 and a molecular weight of 370.32 g/mol. Its IUPAC name is 5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile
PubChem CID155550847
Molecular FormulaC18H12F2N4O3
Molecular Weight370.32 g/mol
Exact Mass370.09
IUPAC Name5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile
SMILESCC1(c2ccc(C#N)nc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H12F2N4O3/c1-18(10-2-4-12(7-21)22-8-10)16(26)24(17(27)23-18)9-15(25)13-5-3-11(19)6-14(13)20/h2-6,8H,9H2,1H3,(H,23,27)
InChIKeyORHLRQOHHWVKKF-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 5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile (CID 155550847) is 5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile is CC1(c2ccc(C#N)nc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile?
The InChIKey is ORHLRQOHHWVKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O3/c1-18(10-2-4-12(7-21)22-8-10)16(26)24(17(27)23-18)9-15(25)13-5-3-11(19)6-14(13)20/h2-6,8H,9H2,1H3,(H,23,27).
What are the key properties of 5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile?
5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-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 5-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 155550847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).