2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole

C15H22N2O — CID 95457735

IUPAC2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESCC(C)(C)c1cccc(OCCC2=NCCN2)c1
InChIInChI=1S/C15H22N2O/c1-15(2,3)12-5-4-6-13(11-12)18-10-7-14-16-8-9-17-14/h4-6,11H,7-10H2,1-3H3,(H,16,17)
InChIKeyJTQYATXFGMLZAI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.75
Rot. Bonds4

About 2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole

2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 95457735) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID95457735
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESCC(C)(C)c1cccc(OCCC2=NCCN2)c1
InChIInChI=1S/C15H22N2O/c1-15(2,3)12-5-4-6-13(11-12)18-10-7-14-16-8-9-17-14/h4-6,11H,7-10H2,1-3H3,(H,16,17)
InChIKeyJTQYATXFGMLZAI-UHFFFAOYSA-N
XLogP2.75
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole (CID 95457735) is 2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole is CC(C)(C)c1cccc(OCCC2=NCCN2)c1.
What is the InChIKey of 2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is JTQYATXFGMLZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)12-5-4-6-13(11-12)18-10-7-14-16-8-9-17-14/h4-6,11H,7-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 246.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 95457735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).