5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole

C13H16N2O — CID 173195161

IUPAC5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole
SMILESCC(C)(C)Oc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C13H16N2O/c1-13(2,3)16-11-6-4-5-10(7-11)12-8-14-9-15-12/h4-9H,1-3H3,(H,14,15)
InChIKeyXGDCXAXXCPZFEK-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.25
Rot. Bonds2

About 5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole

5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole (PubChem CID 173195161) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole
PubChem CID173195161
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole
SMILESCC(C)(C)Oc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C13H16N2O/c1-13(2,3)16-11-6-4-5-10(7-11)12-8-14-9-15-12/h4-9H,1-3H3,(H,14,15)
InChIKeyXGDCXAXXCPZFEK-UHFFFAOYSA-N
XLogP3.25
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole?
The IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole (CID 173195161) is 5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole.
What is the SMILES notation for 5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole?
The canonical SMILES for 5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole is CC(C)(C)Oc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole?
The InChIKey is XGDCXAXXCPZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,3)16-11-6-4-5-10(7-11)12-8-14-9-15-12/h4-9H,1-3H3,(H,14,15).
What are the key properties of 5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole?
5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole has a molecular weight of 216.28 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole is sourced from PubChem (CID 173195161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).