2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol

C10H16ClN3O — CID 23064550

IUPAC2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol
SMILESCc1nc(N2CCCC2)c(Cl)n1CCO
InChIInChI=1S/C10H16ClN3O/c1-8-12-10(13-4-2-3-5-13)9(11)14(8)6-7-15/h15H,2-7H2,1H3
InChIKeyOSVAJGKBOOCVEP-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.44
Rot. Bonds3

About 2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol

2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol (PubChem CID 23064550) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol
PubChem CID23064550
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol
SMILESCc1nc(N2CCCC2)c(Cl)n1CCO
InChIInChI=1S/C10H16ClN3O/c1-8-12-10(13-4-2-3-5-13)9(11)14(8)6-7-15/h15H,2-7H2,1H3
InChIKeyOSVAJGKBOOCVEP-UHFFFAOYSA-N
XLogP1.44
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol (CID 23064550) is 2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol is Cc1nc(N2CCCC2)c(Cl)n1CCO.
What is the InChIKey of 2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol?
The InChIKey is OSVAJGKBOOCVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-8-12-10(13-4-2-3-5-13)9(11)14(8)6-7-15/h15H,2-7H2,1H3.
What are the key properties of 2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol?
2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol has a molecular weight of 229.71 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol is sourced from PubChem (CID 23064550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).