5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride

C8H18ClN2P — CID 70249249

IUPAC5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride
SMILESCCCCc1cnc(C)[nH]1.Cl.P
InChIInChI=1S/C8H14N2.ClH.H3P/c1-3-4-5-8-6-9-7(2)10-8;;/h6H,3-5H2,1-2H3,(H,9,10);1H;1H3
InChIKeyGRVFEPBZPPNVDZ-UHFFFAOYSA-N
MW208.67 g/mol
LogP2.54
Rot. Bonds3

About 5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride

5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride (PubChem CID 70249249) has the molecular formula C8H18ClN2P and a molecular weight of 208.67 g/mol. Its IUPAC name is 5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride.

Molecular Properties

Compound Name5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride
PubChem CID70249249
Molecular FormulaC8H18ClN2P
Molecular Weight208.67 g/mol
Exact Mass208.09
IUPAC Name5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride
SMILESCCCCc1cnc(C)[nH]1.Cl.P
InChIInChI=1S/C8H14N2.ClH.H3P/c1-3-4-5-8-6-9-7(2)10-8;;/h6H,3-5H2,1-2H3,(H,9,10);1H;1H3
InChIKeyGRVFEPBZPPNVDZ-UHFFFAOYSA-N
XLogP2.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride?
The IUPAC name of 5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride (CID 70249249) is 5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride.
What is the SMILES notation for 5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride?
The canonical SMILES for 5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride is CCCCc1cnc(C)[nH]1.Cl.P.
What is the InChIKey of 5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride?
The InChIKey is GRVFEPBZPPNVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.ClH.H3P/c1-3-4-5-8-6-9-7(2)10-8;;/h6H,3-5H2,1-2H3,(H,9,10);1H;1H3.
What are the key properties of 5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride?
5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride has a molecular weight of 208.67 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride is sourced from PubChem (CID 70249249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).