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

C9H14ClN3O — CID 69418295

IUPAC2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol
SMILESOCCn1cnc(Cl)c1N1CCCC1
InChIInChI=1S/C9H14ClN3O/c10-8-9(12-3-1-2-4-12)13(5-6-14)7-11-8/h7,14H,1-6H2
InChIKeyPZSXZKYQGKNYLI-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.13
Rot. Bonds3

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

2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol (PubChem CID 69418295) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol
PubChem CID69418295
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol
SMILESOCCn1cnc(Cl)c1N1CCCC1
InChIInChI=1S/C9H14ClN3O/c10-8-9(12-3-1-2-4-12)13(5-6-14)7-11-8/h7,14H,1-6H2
InChIKeyPZSXZKYQGKNYLI-UHFFFAOYSA-N
XLogP1.13
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol?
The IUPAC name of 2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol (CID 69418295) is 2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol?
The canonical SMILES for 2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol is OCCn1cnc(Cl)c1N1CCCC1.
What is the InChIKey of 2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol?
The InChIKey is PZSXZKYQGKNYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c10-8-9(12-3-1-2-4-12)13(5-6-14)7-11-8/h7,14H,1-6H2.
What are the key properties of 2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol?
2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol has a molecular weight of 215.68 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol is sourced from PubChem (CID 69418295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).