5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole

C16H22N2 — CID 138713686

IUPAC5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole
SMILESCc1cnc(-c2cccc(C(C)C(C)C)c2C)[nH]1
InChIInChI=1S/C16H22N2/c1-10(2)12(4)14-7-6-8-15(13(14)5)16-17-9-11(3)18-16/h6-10,12H,1-5H3,(H,17,18)
InChIKeySCPMRCZKFFUUJJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.45
Rot. Bonds3

About 5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole

5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole (PubChem CID 138713686) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole
PubChem CID138713686
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole
SMILESCc1cnc(-c2cccc(C(C)C(C)C)c2C)[nH]1
InChIInChI=1S/C16H22N2/c1-10(2)12(4)14-7-6-8-15(13(14)5)16-17-9-11(3)18-16/h6-10,12H,1-5H3,(H,17,18)
InChIKeySCPMRCZKFFUUJJ-UHFFFAOYSA-N
XLogP4.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole?
The IUPAC name of 5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole (CID 138713686) is 5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole.
What is the SMILES notation for 5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole?
The canonical SMILES for 5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole is Cc1cnc(-c2cccc(C(C)C(C)C)c2C)[nH]1.
What is the InChIKey of 5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole?
The InChIKey is SCPMRCZKFFUUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10(2)12(4)14-7-6-8-15(13(14)5)16-17-9-11(3)18-16/h6-10,12H,1-5H3,(H,17,18).
What are the key properties of 5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole?
5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole has a molecular weight of 242.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-methyl-3-(3-methylbutan-2-yl)phenyl]-1H-imidazole is sourced from PubChem (CID 138713686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).