2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol

C10H18N4O — CID 114704961

IUPAC2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol
SMILESCN1CCC(n2cncc2C(N)CO)C1
InChIInChI=1S/C10H18N4O/c1-13-3-2-8(5-13)14-7-12-4-10(14)9(11)6-15/h4,7-9,15H,2-3,5-6,11H2,1H3
InChIKeyZATSLGVWUSTOKR-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.25
Rot. Bonds3

About 2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol

2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol (PubChem CID 114704961) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol
PubChem CID114704961
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol
SMILESCN1CCC(n2cncc2C(N)CO)C1
InChIInChI=1S/C10H18N4O/c1-13-3-2-8(5-13)14-7-12-4-10(14)9(11)6-15/h4,7-9,15H,2-3,5-6,11H2,1H3
InChIKeyZATSLGVWUSTOKR-UHFFFAOYSA-N
XLogP-0.25
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.25
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-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol (CID 114704961) is 2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol is CN1CCC(n2cncc2C(N)CO)C1.
What is the InChIKey of 2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol?
The InChIKey is ZATSLGVWUSTOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-13-3-2-8(5-13)14-7-12-4-10(14)9(11)6-15/h4,7-9,15H,2-3,5-6,11H2,1H3.
What are the key properties of 2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol?
2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol has a molecular weight of 210.28 g/mol, XLogP of -0.25, 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-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114704961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).