2-butyl-1-methylimidazole;dibutyl hydrogen phosphate

C16H33N2O4P — CID 175055742

IUPAC2-butyl-1-methylimidazole;dibutyl hydrogen phosphate
SMILESCCCCOP(=O)(O)OCCCC.CCCCc1nccn1C
InChIInChI=1S/C8H14N2.C8H19O4P/c1-3-4-5-8-9-6-7-10(8)2;1-3-5-7-11-13(9,10)12-8-6-4-2/h6-7H,3-5H2,1-2H3;3-8H2,1-2H3,(H,9,10)
InChIKeyZSWGSNHMZMINQZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.48
Rot. Bonds11

About 2-butyl-1-methylimidazole;dibutyl hydrogen phosphate

2-butyl-1-methylimidazole;dibutyl hydrogen phosphate (PubChem CID 175055742) has the molecular formula C16H33N2O4P and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-butyl-1-methylimidazole;dibutyl hydrogen phosphate.

Molecular Properties

Compound Name2-butyl-1-methylimidazole;dibutyl hydrogen phosphate
PubChem CID175055742
Molecular FormulaC16H33N2O4P
Molecular Weight348.42 g/mol
Exact Mass348.22
IUPAC Name2-butyl-1-methylimidazole;dibutyl hydrogen phosphate
SMILESCCCCOP(=O)(O)OCCCC.CCCCc1nccn1C
InChIInChI=1S/C8H14N2.C8H19O4P/c1-3-4-5-8-9-6-7-10(8)2;1-3-5-7-11-13(9,10)12-8-6-4-2/h6-7H,3-5H2,1-2H3;3-8H2,1-2H3,(H,9,10)
InChIKeyZSWGSNHMZMINQZ-UHFFFAOYSA-N
XLogP4.48
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-butyl-1-methylimidazole;dibutyl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
2-butyl-1-methylimidazole;fluoroform
CID 162050255
(Z)-but-2-enedioic acid;2-butyl-1-methylimidazole
CID 174928175
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
1-(1-methylimidazol-2-yl)heptan-4-one
CID 79761318
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
azane;1-methyl-2-propylimidazole
CID 174525892
2-dodecyl-1-methylimidazole;prop-2-enoic acid
CID 175068688
butyl (1-methylimidazol-2-yl)methanesulfonate
CID 141329687

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methylimidazole;dibutyl hydrogen phosphate?
The IUPAC name of 2-butyl-1-methylimidazole;dibutyl hydrogen phosphate (CID 175055742) is 2-butyl-1-methylimidazole;dibutyl hydrogen phosphate.
What is the SMILES notation for 2-butyl-1-methylimidazole;dibutyl hydrogen phosphate?
The canonical SMILES for 2-butyl-1-methylimidazole;dibutyl hydrogen phosphate is CCCCOP(=O)(O)OCCCC.CCCCc1nccn1C.
What is the InChIKey of 2-butyl-1-methylimidazole;dibutyl hydrogen phosphate?
The InChIKey is ZSWGSNHMZMINQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C8H19O4P/c1-3-4-5-8-9-6-7-10(8)2;1-3-5-7-11-13(9,10)12-8-6-4-2/h6-7H,3-5H2,1-2H3;3-8H2,1-2H3,(H,9,10).
What are the key properties of 2-butyl-1-methylimidazole;dibutyl hydrogen phosphate?
2-butyl-1-methylimidazole;dibutyl hydrogen phosphate has a molecular weight of 348.42 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methylimidazole;dibutyl hydrogen phosphate is sourced from PubChem (CID 175055742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).