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

C11H19N3O3 — CID 114707610

IUPAC2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol
SMILESCOC1(Cn2cncc2C(N)CO)CCOC1
InChIInChI=1S/C11H19N3O3/c1-16-11(2-3-17-7-11)6-14-8-13-4-10(14)9(12)5-15/h4,8-9,15H,2-3,5-7,12H2,1H3
InChIKeyPREHCMIHYMCCNY-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.32
Rot. Bonds5

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

2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol (PubChem CID 114707610) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol
PubChem CID114707610
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol
SMILESCOC1(Cn2cncc2C(N)CO)CCOC1
InChIInChI=1S/C11H19N3O3/c1-16-11(2-3-17-7-11)6-14-8-13-4-10(14)9(12)5-15/h4,8-9,15H,2-3,5-7,12H2,1H3
InChIKeyPREHCMIHYMCCNY-UHFFFAOYSA-N
XLogP-0.32
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol (CID 114707610) is 2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol is COC1(Cn2cncc2C(N)CO)CCOC1.
What is the InChIKey of 2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol?
The InChIKey is PREHCMIHYMCCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-16-11(2-3-17-7-11)6-14-8-13-4-10(14)9(12)5-15/h4,8-9,15H,2-3,5-7,12H2,1H3.
What are the key properties of 2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol?
2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol has a molecular weight of 241.29 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol is sourced from PubChem (CID 114707610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).