1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one

C8H12N2O3 — CID 91011119

IUPAC1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one
SMILESO=C(CCc1cnc[nH]1)C(O)CO
InChIInChI=1S/C8H12N2O3/c11-4-8(13)7(12)2-1-6-3-9-5-10-6/h3,5,8,11,13H,1-2,4H2,(H,9,10)
InChIKeyXHSPRHAEENZSLT-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.74
Rot. Bonds5

About 1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one

1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one (PubChem CID 91011119) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one.

Molecular Properties

Compound Name1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one
PubChem CID91011119
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one
SMILESO=C(CCc1cnc[nH]1)C(O)CO
InChIInChI=1S/C8H12N2O3/c11-4-8(13)7(12)2-1-6-3-9-5-10-6/h3,5,8,11,13H,1-2,4H2,(H,9,10)
InChIKeyXHSPRHAEENZSLT-UHFFFAOYSA-N
XLogP-0.74
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide
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2-(1H-imidazol-5-yl)ethanol;molecular hydrogen
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3-hydroxy-1-(1H-imidazol-5-yl)butan-2-one
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1-(1H-imidazol-5-yl)-3-methylbutan-2-one
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3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol
CID 163552969
3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 110697826
ethyl 4-(1H-imidazol-5-yl)-2-oxobutanoate
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1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea
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10-(1H-imidazol-5-yl)decan-2-one
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3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
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CID 149087090

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one?
The IUPAC name of 1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one (CID 91011119) is 1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one.
What is the SMILES notation for 1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one?
The canonical SMILES for 1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one is O=C(CCc1cnc[nH]1)C(O)CO.
What is the InChIKey of 1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one?
The InChIKey is XHSPRHAEENZSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-4-8(13)7(12)2-1-6-3-9-5-10-6/h3,5,8,11,13H,1-2,4H2,(H,9,10).
What are the key properties of 1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one?
1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one has a molecular weight of 184.19 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one is sourced from PubChem (CID 91011119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).