2-(3-ethylimidazol-4-yl)propan-2-ol

C8H14N2O — CID 89334361

IUPAC2-(3-ethylimidazol-4-yl)propan-2-ol
SMILESCCn1cncc1C(C)(C)O
InChIInChI=1S/C8H14N2O/c1-4-10-6-9-5-7(10)8(2,3)11/h5-6,11H,4H2,1-3H3
InChIKeyQSENSUOFNMNTGG-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.13
Rot. Bonds2

About 2-(3-ethylimidazol-4-yl)propan-2-ol

2-(3-ethylimidazol-4-yl)propan-2-ol (PubChem CID 89334361) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(3-ethylimidazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-ethylimidazol-4-yl)propan-2-ol
PubChem CID89334361
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(3-ethylimidazol-4-yl)propan-2-ol
SMILESCCn1cncc1C(C)(C)O
InChIInChI=1S/C8H14N2O/c1-4-10-6-9-5-7(10)8(2,3)11/h5-6,11H,4H2,1-3H3
InChIKeyQSENSUOFNMNTGG-UHFFFAOYSA-N
XLogP1.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazol-4-yl)propan-2-ol?
The IUPAC name of 2-(3-ethylimidazol-4-yl)propan-2-ol (CID 89334361) is 2-(3-ethylimidazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(3-ethylimidazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(3-ethylimidazol-4-yl)propan-2-ol is CCn1cncc1C(C)(C)O.
What is the InChIKey of 2-(3-ethylimidazol-4-yl)propan-2-ol?
The InChIKey is QSENSUOFNMNTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-10-6-9-5-7(10)8(2,3)11/h5-6,11H,4H2,1-3H3.
What are the key properties of 2-(3-ethylimidazol-4-yl)propan-2-ol?
2-(3-ethylimidazol-4-yl)propan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazol-4-yl)propan-2-ol is sourced from PubChem (CID 89334361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).