1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole

C11H18N4O — CID 123905720

IUPAC1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole
SMILESCn1cncc1C1=NC(C)(C)C(C)(C)N1O
InChIInChI=1S/C11H18N4O/c1-10(2)11(3,4)15(16)9(13-10)8-6-12-7-14(8)5/h6-7,16H,1-5H3
InChIKeyZSBJGASUEUKXEM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.43
Rot. Bonds1

About 1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole

1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole (PubChem CID 123905720) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole.

Molecular Properties

Compound Name1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole
PubChem CID123905720
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole
SMILESCn1cncc1C1=NC(C)(C)C(C)(C)N1O
InChIInChI=1S/C11H18N4O/c1-10(2)11(3,4)15(16)9(13-10)8-6-12-7-14(8)5/h6-7,16H,1-5H3
InChIKeyZSBJGASUEUKXEM-UHFFFAOYSA-N
XLogP1.43
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole?
The IUPAC name of 1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole (CID 123905720) is 1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole.
What is the SMILES notation for 1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole?
The canonical SMILES for 1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole is Cn1cncc1C1=NC(C)(C)C(C)(C)N1O.
What is the InChIKey of 1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole?
The InChIKey is ZSBJGASUEUKXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-10(2)11(3,4)15(16)9(13-10)8-6-12-7-14(8)5/h6-7,16H,1-5H3.
What are the key properties of 1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole?
1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole has a molecular weight of 222.29 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,4,5,5-tetramethyl-2-(3-methylimidazol-4-yl)imidazole is sourced from PubChem (CID 123905720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).