4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one

C29H26N2OP2 — CID 102341518

IUPAC4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one
SMILESCn1c(P(c2ccccc2)c2ccccc2)c(P(c2ccccc2)c2ccccc2)n(C)c1=O
InChIInChI=1S/C29H26N2OP2/c1-30-27(33(23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(31(2)29(30)32)34(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKeyIYUFYEIJDBZJAH-UHFFFAOYSA-N
MW480.49 g/mol
LogP3.24
Rot. Bonds6

About 4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one

4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one (PubChem CID 102341518) has the molecular formula C29H26N2OP2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one.

Molecular Properties

Compound Name4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one
PubChem CID102341518
Molecular FormulaC29H26N2OP2
Molecular Weight480.49 g/mol
Exact Mass480.15
IUPAC Name4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one
SMILESCn1c(P(c2ccccc2)c2ccccc2)c(P(c2ccccc2)c2ccccc2)n(C)c1=O
InChIInChI=1S/C29H26N2OP2/c1-30-27(33(23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(31(2)29(30)32)34(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKeyIYUFYEIJDBZJAH-UHFFFAOYSA-N
XLogP3.24
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4,5-Bis(diphenylphosphinothioyl)-1,3-dimethylimidazole-2-thione
CID 102527851
(5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane
CID 123175296
4-Diphenylphosphanyl-5-diphenylphosphinothioyl-1,3-dimethylimidazole-2-thione
CID 123283152
1,3-Bis(diphenylphosphino)-2-imidazolidinone
CID 129696065
[2,2-Dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride
CID 11964995
3-[2,2-Dichloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-1,1-dimethylurea
CID 13349783
N,N-bis(diphenylphosphanylmethyl)ethanamine
CID 53752638
1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine
CID 71130902
N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine
CID 71133330
1,1,3,3-Tetrakis(diphenylphosphorylmethyl)urea
CID 164745970
1,3-Bis(diphenylphosphorylmethyl)-4,5-dihydroxyimidazol-2-one
CID 164746010
1,3-Bis(diphenylphosphorylmethyl)urea
CID 164746016

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one?
The IUPAC name of 4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one (CID 102341518) is 4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one.
What is the SMILES notation for 4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one?
The canonical SMILES for 4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one is Cn1c(P(c2ccccc2)c2ccccc2)c(P(c2ccccc2)c2ccccc2)n(C)c1=O.
What is the InChIKey of 4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one?
The InChIKey is IYUFYEIJDBZJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2OP2/c1-30-27(33(23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(31(2)29(30)32)34(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3.
What are the key properties of 4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one?
4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one has a molecular weight of 480.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(diphenylphosphanyl)-1,3-dimethylimidazol-2-one is sourced from PubChem (CID 102341518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).