2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol

C11H14N4O — CID 114705991

IUPAC2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol
SMILESCc1ccncc1-n1cncc1C(N)CO
InChIInChI=1S/C11H14N4O/c1-8-2-3-13-4-10(8)15-7-14-5-11(15)9(12)6-16/h2-5,7,9,16H,6,12H2,1H3
InChIKeyVIBITKMDNTUVQG-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol

2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol (PubChem CID 114705991) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol
PubChem CID114705991
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol
SMILESCc1ccncc1-n1cncc1C(N)CO
InChIInChI=1S/C11H14N4O/c1-8-2-3-13-4-10(8)15-7-14-5-11(15)9(12)6-16/h2-5,7,9,16H,6,12H2,1H3
InChIKeyVIBITKMDNTUVQG-UHFFFAOYSA-N
XLogP0.57
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol (CID 114705991) is 2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol is Cc1ccncc1-n1cncc1C(N)CO.
What is the InChIKey of 2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol?
The InChIKey is VIBITKMDNTUVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-2-3-13-4-10(8)15-7-14-5-11(15)9(12)6-16/h2-5,7,9,16H,6,12H2,1H3.
What are the key properties of 2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol?
2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.57, 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-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114705991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).