2-imidazol-1-ylethanol

C10H16N4O2 — CID 159023310

IUPAC2-imidazol-1-ylethanol
SMILESOCCn1ccnc1.OCCn1ccnc1
InChIInChI=1S/2C5H8N2O/c2*8-4-3-7-2-1-6-5-7/h2*1-2,5,8H,3-4H2
InChIKeyJTYZNCLZDNYUPC-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.25
Rot. Bonds4

About 2-imidazol-1-ylethanol

2-imidazol-1-ylethanol (PubChem CID 159023310) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-imidazol-1-ylethanol.

Molecular Properties

Compound Name2-imidazol-1-ylethanol
PubChem CID159023310
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-imidazol-1-ylethanol
SMILESOCCn1ccnc1.OCCn1ccnc1
InChIInChI=1S/2C5H8N2O/c2*8-4-3-7-2-1-6-5-7/h2*1-2,5,8H,3-4H2
InChIKeyJTYZNCLZDNYUPC-UHFFFAOYSA-N
XLogP-0.25
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethenylimidazole;2-imidazol-1-ylethanol
CID 161193576
2-(3-imidazol-1-ylpropylsulfanyl)ethanol
CID 61492872
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
6-imidazol-1-yl-3-methylhexan-1-ol
CID 144712002
1-(2-chloroethyl)imidazole;hydrochloride
CID 2757503
N,N-bis(2-hydroxyethyl)-3-imidazol-1-ylpropanamide
CID 61235262
3-imidazol-1-ylpropanoyl chloride
CID 19872160
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol
CID 60689604
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
phosphoric acid;1-propylimidazole
CID 159096406
fluoroboronic acid;octakis(1-propylimidazole)
CID 173216123

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylethanol?
The IUPAC name of 2-imidazol-1-ylethanol (CID 159023310) is 2-imidazol-1-ylethanol.
What is the SMILES notation for 2-imidazol-1-ylethanol?
The canonical SMILES for 2-imidazol-1-ylethanol is OCCn1ccnc1.OCCn1ccnc1.
What is the InChIKey of 2-imidazol-1-ylethanol?
The InChIKey is JTYZNCLZDNYUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2O/c2*8-4-3-7-2-1-6-5-7/h2*1-2,5,8H,3-4H2.
What are the key properties of 2-imidazol-1-ylethanol?
2-imidazol-1-ylethanol has a molecular weight of 224.26 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylethanol is sourced from PubChem (CID 159023310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).