1-methyl-5-phenyl-2-propan-2-ylimidazole

C13H16N2 — CID 83381613

IUPAC1-methyl-5-phenyl-2-propan-2-ylimidazole
SMILESCC(C)c1ncc(-c2ccccc2)n1C
InChIInChI=1S/C13H16N2/c1-10(2)13-14-9-12(15(13)3)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyHWYHPIUDEXPLBE-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.21
Rot. Bonds2

About 1-methyl-5-phenyl-2-propan-2-ylimidazole

1-methyl-5-phenyl-2-propan-2-ylimidazole (PubChem CID 83381613) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-methyl-5-phenyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-methyl-5-phenyl-2-propan-2-ylimidazole
PubChem CID83381613
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-methyl-5-phenyl-2-propan-2-ylimidazole
SMILESCC(C)c1ncc(-c2ccccc2)n1C
InChIInChI=1S/C13H16N2/c1-10(2)13-14-9-12(15(13)3)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyHWYHPIUDEXPLBE-UHFFFAOYSA-N
XLogP3.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-2-propan-2-ylimidazole?
The IUPAC name of 1-methyl-5-phenyl-2-propan-2-ylimidazole (CID 83381613) is 1-methyl-5-phenyl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-methyl-5-phenyl-2-propan-2-ylimidazole?
The canonical SMILES for 1-methyl-5-phenyl-2-propan-2-ylimidazole is CC(C)c1ncc(-c2ccccc2)n1C.
What is the InChIKey of 1-methyl-5-phenyl-2-propan-2-ylimidazole?
The InChIKey is HWYHPIUDEXPLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10(2)13-14-9-12(15(13)3)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 1-methyl-5-phenyl-2-propan-2-ylimidazole?
1-methyl-5-phenyl-2-propan-2-ylimidazole has a molecular weight of 200.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-2-propan-2-ylimidazole is sourced from PubChem (CID 83381613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).