2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol

C12H16N4O — CID 114706651

IUPAC2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol
SMILESCc1ccc(-n2cncc2C(N)CO)c(C)n1
InChIInChI=1S/C12H16N4O/c1-8-3-4-11(9(2)15-8)16-7-14-5-12(16)10(13)6-17/h3-5,7,10,17H,6,13H2,1-2H3
InChIKeyNWOZJFHKJRWIES-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.88
Rot. Bonds3

About 2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol

2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol (PubChem CID 114706651) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol
PubChem CID114706651
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol
SMILESCc1ccc(-n2cncc2C(N)CO)c(C)n1
InChIInChI=1S/C12H16N4O/c1-8-3-4-11(9(2)15-8)16-7-14-5-12(16)10(13)6-17/h3-5,7,10,17H,6,13H2,1-2H3
InChIKeyNWOZJFHKJRWIES-UHFFFAOYSA-N
XLogP0.88
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol
CID 114705991
2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol
CID 114703854
2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol
CID 114704013
2-amino-2-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanol
CID 114704452
(2R)-2-amino-2-(2,6-dimethyl-3-pyridinyl)ethanol
CID 96740448
2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol
CID 114703705
2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol
CID 114703009
2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol
CID 114703016
2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol
CID 114703134
3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
CID 114706546
3-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114721205
2-amino-2-(3-tert-butylimidazol-4-yl)ethanol
CID 83876291

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol (CID 114706651) is 2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol is Cc1ccc(-n2cncc2C(N)CO)c(C)n1.
What is the InChIKey of 2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol?
The InChIKey is NWOZJFHKJRWIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-3-4-11(9(2)15-8)16-7-14-5-12(16)10(13)6-17/h3-5,7,10,17H,6,13H2,1-2H3.
What are the key properties of 2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol?
2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol has a molecular weight of 232.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114706651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).