1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one

C9H16N2O2 — CID 137411210

IUPAC1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one
SMILESCC[C@@H]([C@@H](C)O)n1ccn(C)c1=O
InChIInChI=1S/C9H16N2O2/c1-4-8(7(2)12)11-6-5-10(3)9(11)13/h5-8,12H,4H2,1-3H3/t7-,8+/m1/s1
InChIKeyGZWUYMJKCJLFAJ-SFYZADRCSA-N
MW184.24 g/mol
LogP0.52
Rot. Bonds3

About 1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one

1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one (PubChem CID 137411210) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one
PubChem CID137411210
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one
SMILESCC[C@@H]([C@@H](C)O)n1ccn(C)c1=O
InChIInChI=1S/C9H16N2O2/c1-4-8(7(2)12)11-6-5-10(3)9(11)13/h5-8,12H,4H2,1-3H3/t7-,8+/m1/s1
InChIKeyGZWUYMJKCJLFAJ-SFYZADRCSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-Hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one
CID 91091137
3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one
CID 131162675
1-(2-Hydroxyethyl)-3-propan-2-ylimidazol-2-one
CID 80581216
1-(4-Hydroxybutyl)-3-propan-2-ylimidazol-2-one
CID 80581217
1-Ethyl-3-(2-hydroxypropyl)imidazol-2-one
CID 80581237
1-Ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one
CID 80581257
1-Ethyl-3-(2-hydroxybutyl)imidazol-2-one
CID 80581301
1-(2-Hydroxypropyl)-3-methylimidazol-2-one
CID 80581369
1-(3-Hydroxybutan-2-yl)-3-methylimidazol-2-one
CID 80581370
1-(2-Hydroxybutyl)-3-methylimidazol-2-one
CID 80581412

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one?
The IUPAC name of 1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one (CID 137411210) is 1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one is CC[C@@H]([C@@H](C)O)n1ccn(C)c1=O.
What is the InChIKey of 1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one?
The InChIKey is GZWUYMJKCJLFAJ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-8(7(2)12)11-6-5-10(3)9(11)13/h5-8,12H,4H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of 1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one?
1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one is sourced from PubChem (CID 137411210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).