1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol

C8H12ClN3O — CID 69420944

IUPAC1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol
SMILESCn1cnc(Cl)c1N1CCC(O)C1
InChIInChI=1S/C8H12ClN3O/c1-11-5-10-7(9)8(11)12-3-2-6(13)4-12/h5-6,13H,2-4H2,1H3
InChIKeyKKXOZXIQLCTWKR-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.64
Rot. Bonds1

About 1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol

1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol (PubChem CID 69420944) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol
PubChem CID69420944
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol
SMILESCn1cnc(Cl)c1N1CCC(O)C1
InChIInChI=1S/C8H12ClN3O/c1-11-5-10-7(9)8(11)12-3-2-6(13)4-12/h5-6,13H,2-4H2,1H3
InChIKeyKKXOZXIQLCTWKR-UHFFFAOYSA-N
XLogP0.64
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol (CID 69420944) is 1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol is Cn1cnc(Cl)c1N1CCC(O)C1.
What is the InChIKey of 1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol?
The InChIKey is KKXOZXIQLCTWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-11-5-10-7(9)8(11)12-3-2-6(13)4-12/h5-6,13H,2-4H2,1H3.
What are the key properties of 1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol?
1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol has a molecular weight of 201.66 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 69420944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).