2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid

C5H10N2O4S — CID 22756045

IUPAC2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid
SMILESC=CC1=NCCN1.O=S(=O)(O)O
InChIInChI=1S/C5H8N2.H2O4S/c1-2-5-6-3-4-7-5;1-5(2,3)4/h2H,1,3-4H2,(H,6,7);(H2,1,2,3,4)
InChIKeyZKECLWNBBZPOFW-UHFFFAOYSA-N
MW194.21 g/mol
LogP-0.48
Rot. Bonds1

About 2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid

2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid (PubChem CID 22756045) has the molecular formula C5H10N2O4S and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid.

Molecular Properties

Compound Name2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid
PubChem CID22756045
Molecular FormulaC5H10N2O4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid
SMILESC=CC1=NCCN1.O=S(=O)(O)O
InChIInChI=1S/C5H8N2.H2O4S/c1-2-5-6-3-4-7-5;1-5(2,3)4/h2H,1,3-4H2,(H,6,7);(H2,1,2,3,4)
InChIKeyZKECLWNBBZPOFW-UHFFFAOYSA-N
XLogP-0.48
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 161377613
3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enoic acid
CID 54548020
2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
CID 6455104
ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
CID 145111206
4,5-dihydro-1H-imidazol-2-ylmethanol;methanesulfonic acid
CID 6713427
2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole
CID 121220339
2-[(E)-2-phenylprop-1-enyl]-4,5-dihydro-1H-imidazole
CID 12632092
2-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-disulfonic acid
CID 141259723
2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole
CID 134149322
4,5-dihydro-1H-imidazole-2-carboxamide
CID 1382042
3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol
CID 68992665
2-penta-1,3-dien-3-yl-4,5-dihydro-1H-imidazole
CID 54153772

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid?
The IUPAC name of 2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid (CID 22756045) is 2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid.
What is the SMILES notation for 2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid?
The canonical SMILES for 2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid is C=CC1=NCCN1.O=S(=O)(O)O.
What is the InChIKey of 2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid?
The InChIKey is ZKECLWNBBZPOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.H2O4S/c1-2-5-6-3-4-7-5;1-5(2,3)4/h2H,1,3-4H2,(H,6,7);(H2,1,2,3,4).
What are the key properties of 2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid?
2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid has a molecular weight of 194.21 g/mol, XLogP of -0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid is sourced from PubChem (CID 22756045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).