1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one

C9H16N2O2 — CID 80582024

IUPAC1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one
SMILESCC(O)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C9H16N2O2/c1-7(2)11-5-4-10(9(11)13)6-8(3)12/h4-5,7-8,12H,6H2,1-3H3
InChIKeyISNSPHLJWUFMDR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.61
Rot. Bonds3

About 1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one

1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one (PubChem CID 80582024) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one
PubChem CID80582024
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one
SMILESCC(O)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C9H16N2O2/c1-7(2)11-5-4-10(9(11)13)6-8(3)12/h4-5,7-8,12H,6H2,1-3H3
InChIKeyISNSPHLJWUFMDR-UHFFFAOYSA-N
XLogP0.61
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-2-hydroxypropyl)-3-methyl-2,3-dihydro-1H-imidazol-2-one
CID 165595262
1-ethyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165595567
1-(3-fluoro-2-hydroxypropyl)-3-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one
CID 165595894
1-cyclopropyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165600794
1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol
CID 69236129
3-(2-hydroxypropyl)-1H-imidazol-2-one
CID 84013465
4-Hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one
CID 91091137
1,3-bis(3-propan-2-yl-2H-imidazol-1-yl)propan-2-ol
CID 101541877
3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one
CID 131162675
1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one
CID 137411210
1-(2-Hydroxyethyl)-3-propan-2-ylimidazol-2-one
CID 80581216
1-(4-Hydroxybutyl)-3-propan-2-ylimidazol-2-one
CID 80581217

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one (CID 80582024) is 1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one is CC(O)Cn1ccn(C(C)C)c1=O.
What is the InChIKey of 1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is ISNSPHLJWUFMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(2)11-5-4-10(9(11)13)6-8(3)12/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of 1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one?
1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80582024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).