3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione

C24H21N3O5 — CID 2221340

IUPAC3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C24H21N3O5/c28-22-24(18-10-3-1-4-11-18,19-12-5-2-6-13-19)25-23(29)26(22)16-9-17-32-21-15-8-7-14-20(21)27(30)31/h1-8,10-15H,9,16-17H2,(H,25,29)
InChIKeyUVQHWNHZJDNFHA-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.86
Rot. Bonds8

About 3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione

3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 2221340) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID2221340
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C24H21N3O5/c28-22-24(18-10-3-1-4-11-18,19-12-5-2-6-13-19)25-23(29)26(22)16-9-17-32-21-15-8-7-14-20(21)27(30)31/h1-8,10-15H,9,16-17H2,(H,25,29)
InChIKeyUVQHWNHZJDNFHA-UHFFFAOYSA-N
XLogP3.86
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione
CID 102066490
2-[5-(2-nitrophenoxy)pentyl]isoindole-1,3-dione
CID 90431397
3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione
CID 2221675
3-(2-nitrophenoxy)propan-1-ol
CID 18791292
3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione
CID 2965830
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
5-(2-nitrophenoxy)pentanoic acid
CID 28971679
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
CID 3084726
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 2221626

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione (CID 2221340) is 3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is UVQHWNHZJDNFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c28-22-24(18-10-3-1-4-11-18,19-12-5-2-6-13-19)25-23(29)26(22)16-9-17-32-21-15-8-7-14-20(21)27(30)31/h1-8,10-15H,9,16-17H2,(H,25,29).
What are the key properties of 3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 431.45 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 2221340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).