2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole

C16H22N2 — CID 58951824

IUPAC2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole
SMILESCC(C)c1cccc(C(C)C)c1Cc1ncc[nH]1
InChIInChI=1S/C16H22N2/c1-11(2)13-6-5-7-14(12(3)4)15(13)10-16-17-8-9-18-16/h5-9,11-12H,10H2,1-4H3,(H,17,18)
InChIKeyHGNWYBNUXYACPU-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.25
Rot. Bonds4

About 2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole

2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole (PubChem CID 58951824) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole
PubChem CID58951824
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole
SMILESCC(C)c1cccc(C(C)C)c1Cc1ncc[nH]1
InChIInChI=1S/C16H22N2/c1-11(2)13-6-5-7-14(12(3)4)15(13)10-16-17-8-9-18-16/h5-9,11-12H,10H2,1-4H3,(H,17,18)
InChIKeyHGNWYBNUXYACPU-UHFFFAOYSA-N
XLogP4.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole?
The IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole (CID 58951824) is 2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole is CC(C)c1cccc(C(C)C)c1Cc1ncc[nH]1.
What is the InChIKey of 2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole?
The InChIKey is HGNWYBNUXYACPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11(2)13-6-5-7-14(12(3)4)15(13)10-16-17-8-9-18-16/h5-9,11-12H,10H2,1-4H3,(H,17,18).
What are the key properties of 2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole?
2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole has a molecular weight of 242.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole is sourced from PubChem (CID 58951824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).