5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole

C9H16N2O — CID 11469303

IUPAC5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole
SMILESCC(C)(C)OCCc1cnc[nH]1
InChIInChI=1S/C9H16N2O/c1-9(2,3)12-5-4-8-6-10-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyNVDFBVDHFQGHCL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.77
Rot. Bonds3

About 5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole

5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole (PubChem CID 11469303) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole
PubChem CID11469303
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole
SMILESCC(C)(C)OCCc1cnc[nH]1
InChIInChI=1S/C9H16N2O/c1-9(2,3)12-5-4-8-6-10-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyNVDFBVDHFQGHCL-UHFFFAOYSA-N
XLogP1.77
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole (CID 11469303) is 5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole is CC(C)(C)OCCc1cnc[nH]1.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole?
The InChIKey is NVDFBVDHFQGHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2,3)12-5-4-8-6-10-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole?
5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole has a molecular weight of 168.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole is sourced from PubChem (CID 11469303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).