(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol

C13H16N2O2 — CID 696935

IUPAC(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
SMILESCc1nccn1C[C@@H](O)COc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-11-14-7-8-15(11)9-12(16)10-17-13-5-3-2-4-6-13/h2-8,12,16H,9-10H2,1H3/t12-/m1/s1
InChIKeyRHTXCFRIEYHAHM-GFCCVEGCSA-N
MW232.28 g/mol
LogP1.63
Rot. Bonds5

About (2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol

(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol (PubChem CID 696935) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
PubChem CID696935
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
SMILESCc1nccn1C[C@@H](O)COc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-11-14-7-8-15(11)9-12(16)10-17-13-5-3-2-4-6-13/h2-8,12,16H,9-10H2,1H3/t12-/m1/s1
InChIKeyRHTXCFRIEYHAHM-GFCCVEGCSA-N
XLogP1.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-nitroimidazol-1-yl)-3-phenoxypropan-2-ol
CID 23275096
(2S)-1-(2,4-dichlorophenoxy)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 697663
1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 75432626
(2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 95889436
(2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 122591289
1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
CID 109411455
1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 109411239
(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 125135773
1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 43165910
4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide
CID 133220620
1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone
CID 111476898
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol (CID 696935) is (2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol is Cc1nccn1C[C@@H](O)COc1ccccc1.
What is the InChIKey of (2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol?
The InChIKey is RHTXCFRIEYHAHM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-11-14-7-8-15(11)9-12(16)10-17-13-5-3-2-4-6-13/h2-8,12,16H,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol?
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol has a molecular weight of 232.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol is sourced from PubChem (CID 696935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).