1-butyl-3-methyl-2H-imidazole;phosphorous acid

C8H19N2O3P — CID 174659773

IUPAC1-butyl-3-methyl-2H-imidazole;phosphorous acid
SMILESCCCCN1C=CN(C)C1.OP(O)O
InChIInChI=1S/C8H16N2.H3O3P/c1-3-4-5-10-7-6-9(2)8-10;1-4(2)3/h6-7H,3-5,8H2,1-2H3;1-3H
InChIKeyFZHBDVCUWVYHGO-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.65
Rot. Bonds3

About 1-butyl-3-methyl-2H-imidazole;phosphorous acid

1-butyl-3-methyl-2H-imidazole;phosphorous acid (PubChem CID 174659773) has the molecular formula C8H19N2O3P and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazole;phosphorous acid.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazole;phosphorous acid
PubChem CID174659773
Molecular FormulaC8H19N2O3P
Molecular Weight222.22 g/mol
Exact Mass222.11
IUPAC Name1-butyl-3-methyl-2H-imidazole;phosphorous acid
SMILESCCCCN1C=CN(C)C1.OP(O)O
InChIInChI=1S/C8H16N2.H3O3P/c1-3-4-5-10-7-6-9(2)8-10;1-4(2)3/h6-7H,3-5,8H2,1-2H3;1-3H
InChIKeyFZHBDVCUWVYHGO-UHFFFAOYSA-N
XLogP0.65
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-butyl-3-methyl-2H-imidazole;phosphorous acid 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

1-butyl-3-methyl-2H-imidazole
CID 10265934
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
CID 174886963
1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
CID 173166047
aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride
CID 172848443
CID 174105864
CID 174105864
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-butyl-3-methyl-2H-imidazole;tetrakis(carbonofluoridic acid)
CID 175410531
1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate
CID 174451662
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazole;phosphorous acid?
The IUPAC name of 1-butyl-3-methyl-2H-imidazole;phosphorous acid (CID 174659773) is 1-butyl-3-methyl-2H-imidazole;phosphorous acid.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazole;phosphorous acid?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazole;phosphorous acid is CCCCN1C=CN(C)C1.OP(O)O.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazole;phosphorous acid?
The InChIKey is FZHBDVCUWVYHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.H3O3P/c1-3-4-5-10-7-6-9(2)8-10;1-4(2)3/h6-7H,3-5,8H2,1-2H3;1-3H.
What are the key properties of 1-butyl-3-methyl-2H-imidazole;phosphorous acid?
1-butyl-3-methyl-2H-imidazole;phosphorous acid has a molecular weight of 222.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazole;phosphorous acid is sourced from PubChem (CID 174659773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).