1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine

C24H25N3O3 — CID 101217629

IUPAC1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine
SMILESCOc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-30-23-13-9-21(10-14-23)24-25(17-19-5-3-2-4-6-19)15-16-26(24)18-20-7-11-22(12-8-20)27(28)29/h2-14,24H,15-18H2,1H3
InChIKeyYSLQAZJRYFAVGR-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.62
Rot. Bonds7

About 1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine

1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine (PubChem CID 101217629) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine.

Molecular Properties

Compound Name1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine
PubChem CID101217629
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine
SMILESCOc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-30-23-13-9-21(10-14-23)24-25(17-19-5-3-2-4-6-19)15-16-26(24)18-20-7-11-22(12-8-20)27(28)29/h2-14,24H,15-18H2,1H3
InChIKeyYSLQAZJRYFAVGR-UHFFFAOYSA-N
XLogP4.62
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.62
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

1,3-dibenzyl-2-(4-nitrophenyl)imidazolidine
CID 1039680
2-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]piperazine
CID 21331832
1-benzyl-2-(4-nitrophenyl)aziridine
CID 11368817
(1R,4R,5S)-2-[(4-methoxyphenyl)methyl]-5-(4-nitrophenyl)-2-azabicyclo[2.2.1]heptan-3-one
CID 102231019
2-(4-methoxyphenyl)-1-[(3-nitrophenyl)methyl]pyrrolidine
CID 46266484
(6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one
CID 67354355
1-[(4-methoxyphenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2837933
1-[(3-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 737879
2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol
CID 3752703
2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine
CID 86073103
(2S)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine
CID 92569268
1-benzyl-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 2889339

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine?
The IUPAC name of 1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine (CID 101217629) is 1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine.
What is the SMILES notation for 1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine?
The canonical SMILES for 1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine is COc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine?
The InChIKey is YSLQAZJRYFAVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-30-23-13-9-21(10-14-23)24-25(17-19-5-3-2-4-6-19)15-16-26(24)18-20-7-11-22(12-8-20)27(28)29/h2-14,24H,15-18H2,1H3.
What are the key properties of 1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine?
1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine has a molecular weight of 403.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine is sourced from PubChem (CID 101217629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).