(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid

C9H20N2O5S — CID 118386602

IUPAC(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid
SMILESCCN1C=C(C)N(CC)C1CO.O=S(=O)(O)O
InChIInChI=1S/C9H18N2O.H2O4S/c1-4-10-6-8(3)11(5-2)9(10)7-12;1-5(2,3)4/h6,9,12H,4-5,7H2,1-3H3;(H2,1,2,3,4)
InChIKeyIIORVNIWRQBTFG-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.17
Rot. Bonds3

About (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid

(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid (PubChem CID 118386602) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid.

Molecular Properties

Compound Name(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid
PubChem CID118386602
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Name(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid
SMILESCCN1C=C(C)N(CC)C1CO.O=S(=O)(O)O
InChIInChI=1S/C9H18N2O.H2O4S/c1-4-10-6-8(3)11(5-2)9(10)7-12;1-5(2,3)4/h6,9,12H,4-5,7H2,1-3H3;(H2,1,2,3,4)
InChIKeyIIORVNIWRQBTFG-UHFFFAOYSA-N
XLogP0.17
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid
CID 70562319
(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol
CID 118386603

Frequently Asked Questions

What is the IUPAC name of (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid?
The IUPAC name of (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid (CID 118386602) is (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid.
What is the SMILES notation for (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid?
The canonical SMILES for (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid is CCN1C=C(C)N(CC)C1CO.O=S(=O)(O)O.
What is the InChIKey of (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid?
The InChIKey is IIORVNIWRQBTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.H2O4S/c1-4-10-6-8(3)11(5-2)9(10)7-12;1-5(2,3)4/h6,9,12H,4-5,7H2,1-3H3;(H2,1,2,3,4).
What are the key properties of (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid?
(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid has a molecular weight of 268.33 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid is sourced from PubChem (CID 118386602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).