1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one

C14H20N4O3 — CID 13393268

IUPAC1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one
SMILESCC(C)(N)CCN1CCN(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C14H20N4O3/c1-14(2,15)7-8-16-9-10-17(13(16)19)11-3-5-12(6-4-11)18(20)21/h3-6H,7-10,15H2,1-2H3
InChIKeyFUJFCLGJHTVYSO-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.96
Rot. Bonds5

About 1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one

1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one (PubChem CID 13393268) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one
PubChem CID13393268
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one
SMILESCC(C)(N)CCN1CCN(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C14H20N4O3/c1-14(2,15)7-8-16-9-10-17(13(16)19)11-3-5-12(6-4-11)18(20)21/h3-6H,7-10,15H2,1-2H3
InChIKeyFUJFCLGJHTVYSO-UHFFFAOYSA-N
XLogP1.96
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one?
The IUPAC name of 1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one (CID 13393268) is 1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one is CC(C)(N)CCN1CCN(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one?
The InChIKey is FUJFCLGJHTVYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-14(2,15)7-8-16-9-10-17(13(16)19)11-3-5-12(6-4-11)18(20)21/h3-6H,7-10,15H2,1-2H3.
What are the key properties of 1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one?
1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one has a molecular weight of 292.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-methylbutyl)-3-(4-nitrophenyl)imidazolidin-2-one is sourced from PubChem (CID 13393268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).