2-(1H-imidazol-2-yl)pentan-2-ol

C8H14N2O — CID 91811688

IUPAC2-(1H-imidazol-2-yl)pentan-2-ol
SMILESCCCC(C)(O)c1ncc[nH]1
InChIInChI=1S/C8H14N2O/c1-3-4-8(2,11)7-9-5-6-10-7/h5-6,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyVHTIFBPEPIXAPI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.42
Rot. Bonds3

About 2-(1H-imidazol-2-yl)pentan-2-ol

2-(1H-imidazol-2-yl)pentan-2-ol (PubChem CID 91811688) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)pentan-2-ol
PubChem CID91811688
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(1H-imidazol-2-yl)pentan-2-ol
SMILESCCCC(C)(O)c1ncc[nH]1
InChIInChI=1S/C8H14N2O/c1-3-4-8(2,11)7-9-5-6-10-7/h5-6,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyVHTIFBPEPIXAPI-UHFFFAOYSA-N
XLogP1.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)pentan-2-ol?
The IUPAC name of 2-(1H-imidazol-2-yl)pentan-2-ol (CID 91811688) is 2-(1H-imidazol-2-yl)pentan-2-ol.
What is the SMILES notation for 2-(1H-imidazol-2-yl)pentan-2-ol?
The canonical SMILES for 2-(1H-imidazol-2-yl)pentan-2-ol is CCCC(C)(O)c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)pentan-2-ol?
The InChIKey is VHTIFBPEPIXAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-8(2,11)7-9-5-6-10-7/h5-6,11H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-(1H-imidazol-2-yl)pentan-2-ol?
2-(1H-imidazol-2-yl)pentan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)pentan-2-ol is sourced from PubChem (CID 91811688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).