2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole

C17H17N3O2 — CID 25034507

IUPAC2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1cccc(-c2ccccc2CCC2=NCCN2)c1
InChIInChI=1S/C17H17N3O2/c21-20(22)15-6-3-5-14(12-15)16-7-2-1-4-13(16)8-9-17-18-10-11-19-17/h1-7,12H,8-11H2,(H,18,19)
InChIKeyZSLBFOFESSDJDT-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.20
Rot. Bonds5

About 2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole

2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 25034507) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole
PubChem CID25034507
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1cccc(-c2ccccc2CCC2=NCCN2)c1
InChIInChI=1S/C17H17N3O2/c21-20(22)15-6-3-5-14(12-15)16-7-2-1-4-13(16)8-9-17-18-10-11-19-17/h1-7,12H,8-11H2,(H,18,19)
InChIKeyZSLBFOFESSDJDT-UHFFFAOYSA-N
XLogP3.20
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.20
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 2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole (CID 25034507) is 2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole is O=[N+]([O-])c1cccc(-c2ccccc2CCC2=NCCN2)c1.
What is the InChIKey of 2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is ZSLBFOFESSDJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-20(22)15-6-3-5-14(12-15)16-7-2-1-4-13(16)8-9-17-18-10-11-19-17/h1-7,12H,8-11H2,(H,18,19).
What are the key properties of 2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole?
2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 295.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-nitrophenyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 25034507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).