2,5-dimethyl-1H-imidazole;phosphane;hydrobromide

C5H12BrN2P — CID 173289689

IUPAC2,5-dimethyl-1H-imidazole;phosphane;hydrobromide
SMILESBr.Cc1cnc(C)[nH]1.P
InChIInChI=1S/C5H8N2.BrH.H3P/c1-4-3-6-5(2)7-4;;/h3H,1-2H3,(H,6,7);1H;1H3
InChIKeyUKPZTAFEFPJZCH-UHFFFAOYSA-N
MW211.04 g/mol
LogP1.66
Rot. Bonds

About 2,5-dimethyl-1H-imidazole;phosphane;hydrobromide

2,5-dimethyl-1H-imidazole;phosphane;hydrobromide (PubChem CID 173289689) has the molecular formula C5H12BrN2P and a molecular weight of 211.04 g/mol. Its IUPAC name is 2,5-dimethyl-1H-imidazole;phosphane;hydrobromide.

Molecular Properties

Compound Name2,5-dimethyl-1H-imidazole;phosphane;hydrobromide
PubChem CID173289689
Molecular FormulaC5H12BrN2P
Molecular Weight211.04 g/mol
Exact Mass209.99
IUPAC Name2,5-dimethyl-1H-imidazole;phosphane;hydrobromide
SMILESBr.Cc1cnc(C)[nH]1.P
InChIInChI=1S/C5H8N2.BrH.H3P/c1-4-3-6-5(2)7-4;;/h3H,1-2H3,(H,6,7);1H;1H3
InChIKeyUKPZTAFEFPJZCH-UHFFFAOYSA-N
XLogP1.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.04
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 174505466
2,5-dimethyl-1H-imidazole;ethanol
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2,5-dimethyl-1H-imidazole;urea
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2,5-dimethyl-1H-imidazole;4,5-dimethyl-1H-imidazole
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2,5-dimethyl-1H-imidazole;1-methylimidazole
CID 159800988
2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate
CID 175037316
2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane
CID 159398992
ethane;2-fluoro-5-methyl-1H-imidazole
CID 178095563
(5-methyl-1H-imidazol-2-yl)sulfanylmethanol
CID 19031058
2-methyl-5-nitroso-1H-imidazole
CID 88616226
2-methyl-5-propyl-1H-imidazole
CID 22956170
CID 175233051
CID 175233051

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-imidazole;phosphane;hydrobromide?
The IUPAC name of 2,5-dimethyl-1H-imidazole;phosphane;hydrobromide (CID 173289689) is 2,5-dimethyl-1H-imidazole;phosphane;hydrobromide.
What is the SMILES notation for 2,5-dimethyl-1H-imidazole;phosphane;hydrobromide?
The canonical SMILES for 2,5-dimethyl-1H-imidazole;phosphane;hydrobromide is Br.Cc1cnc(C)[nH]1.P.
What is the InChIKey of 2,5-dimethyl-1H-imidazole;phosphane;hydrobromide?
The InChIKey is UKPZTAFEFPJZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.BrH.H3P/c1-4-3-6-5(2)7-4;;/h3H,1-2H3,(H,6,7);1H;1H3.
What are the key properties of 2,5-dimethyl-1H-imidazole;phosphane;hydrobromide?
2,5-dimethyl-1H-imidazole;phosphane;hydrobromide has a molecular weight of 211.04 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-imidazole;phosphane;hydrobromide is sourced from PubChem (CID 173289689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).