5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole

C11H9N3O2 — CID 135538367

IUPAC5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole
SMILESO=[N+]([O-])c1[nH]cnc1/C=C\c1ccccc1
InChIInChI=1S/C11H9N3O2/c15-14(16)11-10(12-8-13-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,12,13)/b7-6-
InChIKeyQXGIKCKEMSLDCG-SREVYHEPSA-N
MW215.21 g/mol
LogP2.49
Rot. Bonds3

About 5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole

5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole (PubChem CID 135538367) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole.

Molecular Properties

Compound Name5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole
PubChem CID135538367
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole
SMILESO=[N+]([O-])c1[nH]cnc1/C=C\c1ccccc1
InChIInChI=1S/C11H9N3O2/c15-14(16)11-10(12-8-13-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,12,13)/b7-6-
InChIKeyQXGIKCKEMSLDCG-SREVYHEPSA-N
XLogP2.49
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole?
The IUPAC name of 5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole (CID 135538367) is 5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole.
What is the SMILES notation for 5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole?
The canonical SMILES for 5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole is O=[N+]([O-])c1[nH]cnc1/C=C\c1ccccc1.
What is the InChIKey of 5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole?
The InChIKey is QXGIKCKEMSLDCG-SREVYHEPSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-14(16)11-10(12-8-13-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,12,13)/b7-6-.
What are the key properties of 5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole?
5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole has a molecular weight of 215.21 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole is sourced from PubChem (CID 135538367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).