1-(3-tert-butylphenyl)imidazole

C13H16N2 — CID 59332766

IUPAC1-(3-tert-butylphenyl)imidazole
SMILESCC(C)(C)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C13H16N2/c1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15/h4-10H,1-3H3
InChIKeySZRZYUARZZSOBX-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.17
Rot. Bonds1

About 1-(3-tert-butylphenyl)imidazole

1-(3-tert-butylphenyl)imidazole (PubChem CID 59332766) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)imidazole.

Molecular Properties

Compound Name1-(3-tert-butylphenyl)imidazole
PubChem CID59332766
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-(3-tert-butylphenyl)imidazole
SMILESCC(C)(C)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C13H16N2/c1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15/h4-10H,1-3H3
InChIKeySZRZYUARZZSOBX-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)imidazole?
The IUPAC name of 1-(3-tert-butylphenyl)imidazole (CID 59332766) is 1-(3-tert-butylphenyl)imidazole.
What is the SMILES notation for 1-(3-tert-butylphenyl)imidazole?
The canonical SMILES for 1-(3-tert-butylphenyl)imidazole is CC(C)(C)c1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-(3-tert-butylphenyl)imidazole?
The InChIKey is SZRZYUARZZSOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15/h4-10H,1-3H3.
What are the key properties of 1-(3-tert-butylphenyl)imidazole?
1-(3-tert-butylphenyl)imidazole has a molecular weight of 200.28 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenyl)imidazole is sourced from PubChem (CID 59332766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).