4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one

C29H24N2OP2 — CID 142677779

IUPAC4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one
SMILESO=c1[nH]c(=CP(c2ccccc2)c2ccccc2)c(=CP(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C29H24N2OP2/c32-29-30-27(21-33(23-13-5-1-6-14-23)24-15-7-2-8-16-24)28(31-29)22-34(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,(H2,30,31,32)
InChIKeyLNSQPKUPKWJEOA-UHFFFAOYSA-N
MW478.47 g/mol
LogP3.44
Rot. Bonds6

About 4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one

4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one (PubChem CID 142677779) has the molecular formula C29H24N2OP2 and a molecular weight of 478.47 g/mol. Its IUPAC name is 4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one.

Molecular Properties

Compound Name4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one
PubChem CID142677779
Molecular FormulaC29H24N2OP2
Molecular Weight478.47 g/mol
Exact Mass478.14
IUPAC Name4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one
SMILESO=c1[nH]c(=CP(c2ccccc2)c2ccccc2)c(=CP(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C29H24N2OP2/c32-29-30-27(21-33(23-13-5-1-6-14-23)24-15-7-2-8-16-24)28(31-29)22-34(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,(H2,30,31,32)
InChIKeyLNSQPKUPKWJEOA-UHFFFAOYSA-N
XLogP3.44
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
1,3-dihydrobenzimidazol-2-one;zinc
CID 174871541
[(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane
CID 101051529
buta-1,3-dienyl(diphenyl)phosphane
CID 72728376
triphenylphosphane
CID 139056248
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl-diphenylphosphane;copper(1+);toluene;chloride
CID 139170571
[(E)-2-(furan-2-yl)ethenyl]-diphenylphosphane
CID 101106006
3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione
CID 134908518
6,7-diphenyl-4-sulfanylidene-1H-pteridin-2-one
CID 15563348
pyrrolidine-2,5-dione;triphenylphosphane;hydrobromide
CID 174049042
2-diethylphosphanylisoindole-1,3-dione
CID 23341095

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one?
The IUPAC name of 4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one (CID 142677779) is 4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one.
What is the SMILES notation for 4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one?
The canonical SMILES for 4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one is O=c1[nH]c(=CP(c2ccccc2)c2ccccc2)c(=CP(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one?
The InChIKey is LNSQPKUPKWJEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2OP2/c32-29-30-27(21-33(23-13-5-1-6-14-23)24-15-7-2-8-16-24)28(31-29)22-34(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,(H2,30,31,32).
What are the key properties of 4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one?
4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one has a molecular weight of 478.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one is sourced from PubChem (CID 142677779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).