2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten

C9H8BrN2W- — CID 58914527

IUPAC2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten
SMILESBrC1=NCCN1c1cc[c-]cc1.[W]
InChIInChI=1S/C9H8BrN2.W/c10-9-11-6-7-12(9)8-4-2-1-3-5-8;/h2-5H,6-7H2;/q-1;
InChIKeyKXGIVSPTJPMEGI-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.06
Rot. Bonds1

About 2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten

2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten (PubChem CID 58914527) has the molecular formula C9H8BrN2W- and a molecular weight of 407.92 g/mol. Its IUPAC name is 2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten.

Molecular Properties

Compound Name2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten
PubChem CID58914527
Molecular FormulaC9H8BrN2W-
Molecular Weight407.92 g/mol
Exact Mass406.94
IUPAC Name2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten
SMILESBrC1=NCCN1c1cc[c-]cc1.[W]
InChIInChI=1S/C9H8BrN2.W/c10-9-11-6-7-12(9)8-4-2-1-3-5-8;/h2-5H,6-7H2;/q-1;
InChIKeyKXGIVSPTJPMEGI-UHFFFAOYSA-N
XLogP2.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Phenyl-4,5-dihydroimidazol-2-amine;tungsten
CID 58914499
2-Methyl-1-phenyl-4,5-dihydroimidazole;tungsten
CID 58914513
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
1-[(3E)-hexa-1,3,5-trien-3-yl]-4,5-dihydroimidazole
CID 142936856
N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine
CID 145029559
1-Penta-1,3-dien-3-yl-4,5-dihydroimidazole
CID 150233910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten?
The IUPAC name of 2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten (CID 58914527) is 2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten.
What is the SMILES notation for 2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten?
The canonical SMILES for 2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten is BrC1=NCCN1c1cc[c-]cc1.[W].
What is the InChIKey of 2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten?
The InChIKey is KXGIVSPTJPMEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN2.W/c10-9-11-6-7-12(9)8-4-2-1-3-5-8;/h2-5H,6-7H2;/q-1;.
What are the key properties of 2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten?
2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten has a molecular weight of 407.92 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-phenyl-4,5-dihydroimidazole;tungsten is sourced from PubChem (CID 58914527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).