2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol

C8H16N2O — CID 66718048

IUPAC2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol
SMILESCC(C)C1=NCC(CCO)N1
InChIInChI=1S/C8H16N2O/c1-6(2)8-9-5-7(10-8)3-4-11/h6-7,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyAHAOXSFTZZPAQA-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.40
Rot. Bonds3

About 2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol

2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol (PubChem CID 66718048) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol
PubChem CID66718048
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol
SMILESCC(C)C1=NCC(CCO)N1
InChIInChI=1S/C8H16N2O/c1-6(2)8-9-5-7(10-8)3-4-11/h6-7,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyAHAOXSFTZZPAQA-UHFFFAOYSA-N
XLogP0.40
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The IUPAC name of 2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol (CID 66718048) is 2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The canonical SMILES for 2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol is CC(C)C1=NCC(CCO)N1.
What is the InChIKey of 2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The InChIKey is AHAOXSFTZZPAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)8-9-5-7(10-8)3-4-11/h6-7,11H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol has a molecular weight of 156.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 66718048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).