2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole

C9H8ClN3O2 — CID 166454548

IUPAC2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1cccc(C2=NCCN2)c1Cl
InChIInChI=1S/C9H8ClN3O2/c10-8-6(9-11-4-5-12-9)2-1-3-7(8)13(14)15/h1-3H,4-5H2,(H,11,12)
InChIKeyZZZLHJOSROQHQX-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.60
Rot. Bonds2

About 2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole

2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 166454548) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole
PubChem CID166454548
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1cccc(C2=NCCN2)c1Cl
InChIInChI=1S/C9H8ClN3O2/c10-8-6(9-11-4-5-12-9)2-1-3-7(8)13(14)15/h1-3H,4-5H2,(H,11,12)
InChIKeyZZZLHJOSROQHQX-UHFFFAOYSA-N
XLogP1.60
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.60
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-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole (CID 166454548) is 2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole is O=[N+]([O-])c1cccc(C2=NCCN2)c1Cl.
What is the InChIKey of 2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is ZZZLHJOSROQHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-8-6(9-11-4-5-12-9)2-1-3-7(8)13(14)15/h1-3H,4-5H2,(H,11,12).
What are the key properties of 2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole?
2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 225.64 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 166454548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).