1-(1H-imidazol-5-yl)ethane-1,2-diol

C5H8N2O2 — CID 54365092

IUPAC1-(1H-imidazol-5-yl)ethane-1,2-diol
SMILESOCC(O)c1cnc[nH]1
InChIInChI=1S/C5H8N2O2/c8-2-5(9)4-1-6-3-7-4/h1,3,5,8-9H,2H2,(H,6,7)
InChIKeyUPFSGNMBAPULTH-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.56
Rot. Bonds2

About 1-(1H-imidazol-5-yl)ethane-1,2-diol

1-(1H-imidazol-5-yl)ethane-1,2-diol (PubChem CID 54365092) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)ethane-1,2-diol
PubChem CID54365092
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1-(1H-imidazol-5-yl)ethane-1,2-diol
SMILESOCC(O)c1cnc[nH]1
InChIInChI=1S/C5H8N2O2/c8-2-5(9)4-1-6-3-7-4/h1,3,5,8-9H,2H2,(H,6,7)
InChIKeyUPFSGNMBAPULTH-UHFFFAOYSA-N
XLogP-0.56
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol
CID 10608838
2-(1H-imidazol-5-yl)-3-methylpentan-1-ol
CID 138636606
1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride
CID 55254810
hydroxy(1H-imidazol-5-yl)methanesulfinic acid
CID 45120574
(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
1H-imidazol-5-yl(naphthalen-1-yl)methanol
CID 10376336
(2S,3S)-2-azaniumyl-3-hydroxy-3-(1H-imidazol-5-yl)propanoate
CID 10219609
(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
CID 67125181
3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine
CID 82409786
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386
3-(1H-imidazol-5-yl)butylphosphonic acid
CID 132937842
(2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine
CID 10447569

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)ethane-1,2-diol?
The IUPAC name of 1-(1H-imidazol-5-yl)ethane-1,2-diol (CID 54365092) is 1-(1H-imidazol-5-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(1H-imidazol-5-yl)ethane-1,2-diol?
The canonical SMILES for 1-(1H-imidazol-5-yl)ethane-1,2-diol is OCC(O)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)ethane-1,2-diol?
The InChIKey is UPFSGNMBAPULTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c8-2-5(9)4-1-6-3-7-4/h1,3,5,8-9H,2H2,(H,6,7).
What are the key properties of 1-(1H-imidazol-5-yl)ethane-1,2-diol?
1-(1H-imidazol-5-yl)ethane-1,2-diol has a molecular weight of 128.13 g/mol, XLogP of -0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 54365092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).