1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol

C9H14ClN3O — CID 23064424

IUPAC1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)c(Cl)n1C
InChIInChI=1S/C9H14ClN3O/c1-6-11-9(8(10)12(6)2)13-4-3-7(14)5-13/h7,14H,3-5H2,1-2H3
InChIKeyQNLOPNSJRVSUQW-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.95
Rot. Bonds1

About 1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol

1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol (PubChem CID 23064424) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol
PubChem CID23064424
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)c(Cl)n1C
InChIInChI=1S/C9H14ClN3O/c1-6-11-9(8(10)12(6)2)13-4-3-7(14)5-13/h7,14H,3-5H2,1-2H3
InChIKeyQNLOPNSJRVSUQW-UHFFFAOYSA-N
XLogP0.95
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol (CID 23064424) is 1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol is Cc1nc(N2CCC(O)C2)c(Cl)n1C.
What is the InChIKey of 1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol?
The InChIKey is QNLOPNSJRVSUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6-11-9(8(10)12(6)2)13-4-3-7(14)5-13/h7,14H,3-5H2,1-2H3.
What are the key properties of 1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol?
1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol has a molecular weight of 215.68 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 23064424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).