3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one

C8H14N2O2 — CID 131162675

IUPAC3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one
SMILESCCC(C(C)O)n1cc[nH]c1=O
InChIInChI=1S/C8H14N2O2/c1-3-7(6(2)11)10-5-4-9-8(10)12/h4-7,11H,3H2,1-2H3,(H,9,12)
InChIKeyANLNZPJCDPWAEQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.51
Rot. Bonds3

About 3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one

3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one (PubChem CID 131162675) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one
PubChem CID131162675
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one
SMILESCCC(C(C)O)n1cc[nH]c1=O
InChIInChI=1S/C8H14N2O2/c1-3-7(6(2)11)10-5-4-9-8(10)12/h4-7,11H,3H2,1-2H3,(H,9,12)
InChIKeyANLNZPJCDPWAEQ-UHFFFAOYSA-N
XLogP0.51
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one
CID 54148736
3-(2-hydroxypropyl)-1H-imidazol-2-one
CID 84013465
1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one
CID 137411210
1-Ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one
CID 80581257
1-(3-Hydroxybutan-2-yl)-3-methylimidazol-2-one
CID 80581370
1-(3-Hydroxybutan-2-yl)-3-propylimidazol-2-one
CID 80581476
1-[2-Hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one
CID 80581558
1-[2-Hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one
CID 80581585
1-[3-(Cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one
CID 80581586
1-[2-Hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one
CID 80581615
1-[3-(Ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one
CID 80581616
1-[2-Hydroxy-3-(methylamino)propyl]-3-propylimidazol-2-one
CID 80581639

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one (CID 131162675) is 3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one is CCC(C(C)O)n1cc[nH]c1=O.
What is the InChIKey of 3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one?
The InChIKey is ANLNZPJCDPWAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-7(6(2)11)10-5-4-9-8(10)12/h4-7,11H,3H2,1-2H3,(H,9,12).
What are the key properties of 3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one?
3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one is sourced from PubChem (CID 131162675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).