4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole

C10H18N2O — CID 130564430

IUPAC4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole
SMILESCc1ncn(COC(C)(C)C)c1C
InChIInChI=1S/C10H18N2O/c1-8-9(2)12(6-11-8)7-13-10(3,4)5/h6H,7H2,1-5H3
InChIKeyPXVDXRHTNDGOHV-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.27
Rot. Bonds2

About 4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole

4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole (PubChem CID 130564430) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole.

Molecular Properties

Compound Name4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole
PubChem CID130564430
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole
SMILESCc1ncn(COC(C)(C)C)c1C
InChIInChI=1S/C10H18N2O/c1-8-9(2)12(6-11-8)7-13-10(3,4)5/h6H,7H2,1-5H3
InChIKeyPXVDXRHTNDGOHV-UHFFFAOYSA-N
XLogP2.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole?
The IUPAC name of 4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole (CID 130564430) is 4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole.
What is the SMILES notation for 4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole?
The canonical SMILES for 4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole is Cc1ncn(COC(C)(C)C)c1C.
What is the InChIKey of 4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole?
The InChIKey is PXVDXRHTNDGOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-9(2)12(6-11-8)7-13-10(3,4)5/h6H,7H2,1-5H3.
What are the key properties of 4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole?
4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole has a molecular weight of 182.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]imidazole is sourced from PubChem (CID 130564430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).