5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole

C11H20N2O — CID 134553699

IUPAC5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole
SMILESCC(C)OCc1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/C11H20N2O/c1-8(2)14-7-10-12-6-9(13-10)11(3,4)5/h6,8H,7H2,1-5H3,(H,12,13)
InChIKeyRFRCOQPNQLHFJM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.63
Rot. Bonds3

About 5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole

5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole (PubChem CID 134553699) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole
PubChem CID134553699
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole
SMILESCC(C)OCc1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/C11H20N2O/c1-8(2)14-7-10-12-6-9(13-10)11(3,4)5/h6,8H,7H2,1-5H3,(H,12,13)
InChIKeyRFRCOQPNQLHFJM-UHFFFAOYSA-N
XLogP2.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole?
The IUPAC name of 5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole (CID 134553699) is 5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole?
The canonical SMILES for 5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole is CC(C)OCc1ncc(C(C)(C)C)[nH]1.
What is the InChIKey of 5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole?
The InChIKey is RFRCOQPNQLHFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)14-7-10-12-6-9(13-10)11(3,4)5/h6,8H,7H2,1-5H3,(H,12,13).
What are the key properties of 5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole?
5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole has a molecular weight of 196.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole is sourced from PubChem (CID 134553699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).