1-methyl-4,5-dihydroimidazole;sulfuric acid

C4H10N2O4S — CID 157265167

IUPAC1-methyl-4,5-dihydroimidazole;sulfuric acid
SMILESCN1C=NCC1.O=S(=O)(O)O
InChIInChI=1S/C4H8N2.H2O4S/c1-6-3-2-5-4-6;1-5(2,3)4/h4H,2-3H2,1H3;(H2,1,2,3,4)
InChIKeyAXXITYCAXGMNJX-UHFFFAOYSA-N
MW182.20 g/mol
LogP-0.69
Rot. Bonds

About 1-methyl-4,5-dihydroimidazole;sulfuric acid

1-methyl-4,5-dihydroimidazole;sulfuric acid (PubChem CID 157265167) has the molecular formula C4H10N2O4S and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-methyl-4,5-dihydroimidazole;sulfuric acid.

Molecular Properties

Compound Name1-methyl-4,5-dihydroimidazole;sulfuric acid
PubChem CID157265167
Molecular FormulaC4H10N2O4S
Molecular Weight182.20 g/mol
Exact Mass182.04
IUPAC Name1-methyl-4,5-dihydroimidazole;sulfuric acid
SMILESCN1C=NCC1.O=S(=O)(O)O
InChIInChI=1S/C4H8N2.H2O4S/c1-6-3-2-5-4-6;1-5(2,3)4/h4H,2-3H2,1H3;(H2,1,2,3,4)
InChIKeyAXXITYCAXGMNJX-UHFFFAOYSA-N
XLogP-0.69
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-3-methyl-4,5-dihydroimidazol-3-ium;methyl sulfate
CID 18955818
1-Ethyl-4,5-dihydroimidazole;methyl hydrogen sulfate
CID 22623778
4,5-Dihydroimidazol-1-ylmethyl hydrogen sulfate
CID 57104979
(1-Methyl-4,5-dihydroimidazol-1-ium-1-yl)methanesulfonic acid
CID 57866903
1,1-Dimethyl-4,5-dihydroimidazol-1-ium;methyl sulfate
CID 87521878
1,1-Dimethyl-4,5-dihydroimidazol-1-ium;dimethyl sulfate
CID 87995495
1-Methyl-4,5-dihydroimidazole;methyl hydrogen sulfate
CID 88452393
1-Ethyl-4,5-dihydroimidazole;ethyl hydrogen sulfate
CID 88452472
Bis(1,1-dimethyl-4,5-dihydroimidazol-1-ium);sulfate
CID 160417385
1-(2-Methylpropyl)-4,5-dihydroimidazole;sulfuric acid
CID 161315431
4,5-dihydro-1H-imidazole;methanamine;sulfuric acid
CID 174760437
1-Ethyl-4,5-dihydroimidazole;sulfuric acid
CID 175199109

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5-dihydroimidazole;sulfuric acid?
The IUPAC name of 1-methyl-4,5-dihydroimidazole;sulfuric acid (CID 157265167) is 1-methyl-4,5-dihydroimidazole;sulfuric acid.
What is the SMILES notation for 1-methyl-4,5-dihydroimidazole;sulfuric acid?
The canonical SMILES for 1-methyl-4,5-dihydroimidazole;sulfuric acid is CN1C=NCC1.O=S(=O)(O)O.
What is the InChIKey of 1-methyl-4,5-dihydroimidazole;sulfuric acid?
The InChIKey is AXXITYCAXGMNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.H2O4S/c1-6-3-2-5-4-6;1-5(2,3)4/h4H,2-3H2,1H3;(H2,1,2,3,4).
What are the key properties of 1-methyl-4,5-dihydroimidazole;sulfuric acid?
1-methyl-4,5-dihydroimidazole;sulfuric acid has a molecular weight of 182.20 g/mol, XLogP of -0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5-dihydroimidazole;sulfuric acid is sourced from PubChem (CID 157265167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).