5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole

C26H20N4O2 — CID 174372254

IUPAC5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole
SMILESO=[N+]([O-])c1cn(C(C=Cc2ccccc2)c2cnc[nH]2)cc1-c1cccc2ccccc12
InChIInChI=1S/C26H20N4O2/c31-30(32)26-17-29(16-23(26)22-12-6-10-20-9-4-5-11-21(20)22)25(24-15-27-18-28-24)14-13-19-7-2-1-3-8-19/h1-18,25H,(H,27,28)
InChIKeyRBGBATBTKPDFOU-UHFFFAOYSA-N
MW420.47 g/mol
LogP6.24
Rot. Bonds6

About 5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole

5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole (PubChem CID 174372254) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole
PubChem CID174372254
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole
SMILESO=[N+]([O-])c1cn(C(C=Cc2ccccc2)c2cnc[nH]2)cc1-c1cccc2ccccc12
InChIInChI=1S/C26H20N4O2/c31-30(32)26-17-29(16-23(26)22-12-6-10-20-9-4-5-11-21(20)22)25(24-15-27-18-28-24)14-13-19-7-2-1-3-8-19/h1-18,25H,(H,27,28)
InChIKeyRBGBATBTKPDFOU-UHFFFAOYSA-N
XLogP6.24
TPSA76.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 56.24
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 5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole?
The IUPAC name of 5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole (CID 174372254) is 5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole.
What is the SMILES notation for 5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole?
The canonical SMILES for 5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole is O=[N+]([O-])c1cn(C(C=Cc2ccccc2)c2cnc[nH]2)cc1-c1cccc2ccccc12.
What is the InChIKey of 5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole?
The InChIKey is RBGBATBTKPDFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c31-30(32)26-17-29(16-23(26)22-12-6-10-20-9-4-5-11-21(20)22)25(24-15-27-18-28-24)14-13-19-7-2-1-3-8-19/h1-18,25H,(H,27,28).
What are the key properties of 5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole?
5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole has a molecular weight of 420.47 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-naphthalen-1-yl-4-nitropyrrol-1-yl)-3-phenylprop-2-enyl]-1H-imidazole is sourced from PubChem (CID 174372254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).