2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole

C14H16N2 — CID 59019746

IUPAC2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole
SMILESCc1ccc(C2(c3ncc[nH]3)CCC2)cc1
InChIInChI=1S/C14H16N2/c1-11-3-5-12(6-4-11)14(7-2-8-14)13-15-9-10-16-13/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
InChIKeyPKILESHCSHTMCH-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.19
Rot. Bonds2

About 2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole

2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole (PubChem CID 59019746) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole
PubChem CID59019746
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole
SMILESCc1ccc(C2(c3ncc[nH]3)CCC2)cc1
InChIInChI=1S/C14H16N2/c1-11-3-5-12(6-4-11)14(7-2-8-14)13-15-9-10-16-13/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
InChIKeyPKILESHCSHTMCH-UHFFFAOYSA-N
XLogP3.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole?
The IUPAC name of 2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole (CID 59019746) is 2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole.
What is the SMILES notation for 2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole?
The canonical SMILES for 2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole is Cc1ccc(C2(c3ncc[nH]3)CCC2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole?
The InChIKey is PKILESHCSHTMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-3-5-12(6-4-11)14(7-2-8-14)13-15-9-10-16-13/h3-6,9-10H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole?
2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole has a molecular weight of 212.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole is sourced from PubChem (CID 59019746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).