1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one

C19H20N4O5 — CID 171776955

IUPAC1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N4O5/c24-19-20(11-9-15-1-5-17(6-2-15)22(25)26)13-14-21(19)12-10-16-3-7-18(8-4-16)23(27)28/h1-8H,9-14H2
InChIKeyCWDLSLVRAPHLTO-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.03
Rot. Bonds8

About 1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one

1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one (PubChem CID 171776955) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one
PubChem CID171776955
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N4O5/c24-19-20(11-9-15-1-5-17(6-2-15)22(25)26)13-14-21(19)12-10-16-3-7-18(8-4-16)23(27)28/h1-8H,9-14H2
InChIKeyCWDLSLVRAPHLTO-UHFFFAOYSA-N
XLogP3.03
TPSA109.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-[2-(4-bromophenyl)ethyl]-4-[2-(4-nitrophenyl)ethyl]piperazine
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CID 86098607
1-[2-(4-nitrophenyl)ethyl]pyridin-2-one
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CID 119907439
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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one?
The IUPAC name of 1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one (CID 171776955) is 1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one is O=C1N(CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one?
The InChIKey is CWDLSLVRAPHLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c24-19-20(11-9-15-1-5-17(6-2-15)22(25)26)13-14-21(19)12-10-16-3-7-18(8-4-16)23(27)28/h1-8H,9-14H2.
What are the key properties of 1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one?
1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one has a molecular weight of 384.39 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 171776955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).