2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole

C12H16N2O — CID 91356453

IUPAC2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole
SMILESCC(C)(C)c1ccc(Cc2ncc[nH]2)o1
InChIInChI=1S/C12H16N2O/c1-12(2,3)10-5-4-9(15-10)8-11-13-6-7-14-11/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyCRQZBRKRSFEXCH-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.89
Rot. Bonds2

About 2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole

2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole (PubChem CID 91356453) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole
PubChem CID91356453
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole
SMILESCC(C)(C)c1ccc(Cc2ncc[nH]2)o1
InChIInChI=1S/C12H16N2O/c1-12(2,3)10-5-4-9(15-10)8-11-13-6-7-14-11/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyCRQZBRKRSFEXCH-UHFFFAOYSA-N
XLogP2.89
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole?
The IUPAC name of 2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole (CID 91356453) is 2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole is CC(C)(C)c1ccc(Cc2ncc[nH]2)o1.
What is the InChIKey of 2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole?
The InChIKey is CRQZBRKRSFEXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,3)10-5-4-9(15-10)8-11-13-6-7-14-11/h4-7H,8H2,1-3H3,(H,13,14).
What are the key properties of 2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole?
2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole has a molecular weight of 204.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylfuran-2-yl)methyl]-1H-imidazole is sourced from PubChem (CID 91356453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).