2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol

C11H14N4O — CID 114703272

IUPAC2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol
SMILESNC(CO)c1cncn1Cc1ccccn1
InChIInChI=1S/C11H14N4O/c12-10(7-16)11-5-13-8-15(11)6-9-3-1-2-4-14-9/h1-5,8,10,16H,6-7,12H2
InChIKeyAJCCJJFODJGYQB-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.32
Rot. Bonds4

About 2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol

2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol (PubChem CID 114703272) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol
PubChem CID114703272
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol
SMILESNC(CO)c1cncn1Cc1ccccn1
InChIInChI=1S/C11H14N4O/c12-10(7-16)11-5-13-8-15(11)6-9-3-1-2-4-14-9/h1-5,8,10,16H,6-7,12H2
InChIKeyAJCCJJFODJGYQB-UHFFFAOYSA-N
XLogP0.32
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol
CID 114706186
2-amino-2-[3-[(2-nitrophenyl)methyl]imidazol-4-yl]ethanol
CID 114705003
2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol
CID 114705699
2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
CID 83876289
2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol
CID 103293720
2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol
CID 114703672
N-methyl-1-[3-(pyridin-2-ylmethyl)imidazol-4-yl]methanamine
CID 66147540
5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114716878
2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol
CID 114703705
(1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine
CID 106898402
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol (CID 114703272) is 2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol is NC(CO)c1cncn1Cc1ccccn1.
What is the InChIKey of 2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol?
The InChIKey is AJCCJJFODJGYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-10(7-16)11-5-13-8-15(11)6-9-3-1-2-4-14-9/h1-5,8,10,16H,6-7,12H2.
What are the key properties of 2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol?
2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114703272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).