trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane

C11H16N2O3Si — CID 58330288

IUPACtrihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane
SMILESCN1C=CN(Cc2ccc([Si](O)(O)O)cc2)C1
InChIInChI=1S/C11H16N2O3Si/c1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)17(14,15)16/h2-7,14-16H,8-9H2,1H3
InChIKeyUIKHIRTUFWHKJG-UHFFFAOYSA-N
MW252.35 g/mol
LogP-1.01
Rot. Bonds3

About trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane

trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane (PubChem CID 58330288) has the molecular formula C11H16N2O3Si and a molecular weight of 252.35 g/mol. Its IUPAC name is trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane.

Molecular Properties

Compound Nametrihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane
PubChem CID58330288
Molecular FormulaC11H16N2O3Si
Molecular Weight252.35 g/mol
Exact Mass252.09
IUPAC Nametrihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane
SMILESCN1C=CN(Cc2ccc([Si](O)(O)O)cc2)C1
InChIInChI=1S/C11H16N2O3Si/c1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)17(14,15)16/h2-7,14-16H,8-9H2,1H3
InChIKeyUIKHIRTUFWHKJG-UHFFFAOYSA-N
XLogP-1.01
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane?
The IUPAC name of trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane (CID 58330288) is trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane.
What is the SMILES notation for trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane?
The canonical SMILES for trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane is CN1C=CN(Cc2ccc([Si](O)(O)O)cc2)C1.
What is the InChIKey of trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane?
The InChIKey is UIKHIRTUFWHKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3Si/c1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)17(14,15)16/h2-7,14-16H,8-9H2,1H3.
What are the key properties of trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane?
trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane has a molecular weight of 252.35 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane is sourced from PubChem (CID 58330288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).