2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine

C17H19N3O3 — CID 86073103

IUPAC2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine
SMILESCOc1ccc(C2N(C)CCN2c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H19N3O3/c1-18-11-12-19(14-5-7-15(8-6-14)20(21)22)17(18)13-3-9-16(23-2)10-4-13/h3-10,17H,11-12H2,1-2H3
InChIKeyPDJAMVYBSZBPOK-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.05
Rot. Bonds4

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

2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine (PubChem CID 86073103) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine
PubChem CID86073103
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine
SMILESCOc1ccc(C2N(C)CCN2c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H19N3O3/c1-18-11-12-19(14-5-7-15(8-6-14)20(21)22)17(18)13-3-9-16(23-2)10-4-13/h3-10,17H,11-12H2,1-2H3
InChIKeyPDJAMVYBSZBPOK-UHFFFAOYSA-N
XLogP3.05
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.05
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

2-(4-methoxyphenyl)-3-(4-nitrophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 18553461
1-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
CID 3608991
1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine
CID 101217629
(3S)-1-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 6925332
(4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one
CID 11034304
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 6935158
2-methoxy-1-(4-nitrophenyl)pyrrolidine
CID 90244532
6-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,2,4,5-tetrazinan-3-one
CID 134916947
(2S,6S,7S)-7-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 7276594
2-trimethylsilylethyl (2R,3R)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)pyrrolidine-2-carboxylate
CID 10623077
1-[(4-methoxyphenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2837933
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011773

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine (CID 86073103) is 2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine is COc1ccc(C2N(C)CCN2c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine?
The InChIKey is PDJAMVYBSZBPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-18-11-12-19(14-5-7-15(8-6-14)20(21)22)17(18)13-3-9-16(23-2)10-4-13/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine?
2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine has a molecular weight of 313.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine is sourced from PubChem (CID 86073103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).