1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol

C9H14ClN3O2 — CID 23064449

IUPAC1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol
SMILESOCCn1cnc(N2CCC(O)C2)c1Cl
InChIInChI=1S/C9H14ClN3O2/c10-8-9(11-6-13(8)3-4-14)12-2-1-7(15)5-12/h6-7,14-15H,1-5H2
InChIKeyUGQGSUSTLLOJKB-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.10
Rot. Bonds3

About 1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol

1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol (PubChem CID 23064449) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol
PubChem CID23064449
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol
SMILESOCCn1cnc(N2CCC(O)C2)c1Cl
InChIInChI=1S/C9H14ClN3O2/c10-8-9(11-6-13(8)3-4-14)12-2-1-7(15)5-12/h6-7,14-15H,1-5H2
InChIKeyUGQGSUSTLLOJKB-UHFFFAOYSA-N
XLogP0.10
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol (CID 23064449) is 1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol is OCCn1cnc(N2CCC(O)C2)c1Cl.
What is the InChIKey of 1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol?
The InChIKey is UGQGSUSTLLOJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c10-8-9(11-6-13(8)3-4-14)12-2-1-7(15)5-12/h6-7,14-15H,1-5H2.
What are the key properties of 1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol?
1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol has a molecular weight of 231.68 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 23064449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).