5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one

C9H14N2O2 — CID 174738664

IUPAC5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one
SMILESCC(=O)C(CCO)Cn1ccnc1
InChIInChI=1S/C9H14N2O2/c1-8(13)9(2-5-12)6-11-4-3-10-7-11/h3-4,7,9,12H,2,5-6H2,1H3
InChIKeyADXYGBAZUOIQFP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.47
Rot. Bonds5

About 5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one

5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one (PubChem CID 174738664) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one
PubChem CID174738664
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one
SMILESCC(=O)C(CCO)Cn1ccnc1
InChIInChI=1S/C9H14N2O2/c1-8(13)9(2-5-12)6-11-4-3-10-7-11/h3-4,7,9,12H,2,5-6H2,1H3
InChIKeyADXYGBAZUOIQFP-UHFFFAOYSA-N
XLogP0.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107568307
N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
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N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 55208182
6-imidazol-1-yl-3-methylhexan-1-ol
CID 144712002
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide
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2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one?
The IUPAC name of 5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one (CID 174738664) is 5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one.
What is the SMILES notation for 5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one?
The canonical SMILES for 5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one is CC(=O)C(CCO)Cn1ccnc1.
What is the InChIKey of 5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one?
The InChIKey is ADXYGBAZUOIQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-8(13)9(2-5-12)6-11-4-3-10-7-11/h3-4,7,9,12H,2,5-6H2,1H3.
What are the key properties of 5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one?
5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(imidazol-1-ylmethyl)pentan-2-one is sourced from PubChem (CID 174738664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).