1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol

C8H12ClN3O — CID 91062826

IUPAC1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2[nH]cnc2Cl)C1
InChIInChI=1S/C8H12ClN3O/c9-8-7(10-5-11-8)4-12-2-1-6(13)3-12/h5-6,13H,1-4H2,(H,10,11)
InChIKeyHNJZQWKRSXGUPW-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.63
Rot. Bonds2

About 1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol

1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 91062826) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol
PubChem CID91062826
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2[nH]cnc2Cl)C1
InChIInChI=1S/C8H12ClN3O/c9-8-7(10-5-11-8)4-12-2-1-6(13)3-12/h5-6,13H,1-4H2,(H,10,11)
InChIKeyHNJZQWKRSXGUPW-UHFFFAOYSA-N
XLogP0.63
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol (CID 91062826) is 1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol is OC1CCN(Cc2[nH]cnc2Cl)C1.
What is the InChIKey of 1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is HNJZQWKRSXGUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c9-8-7(10-5-11-8)4-12-2-1-6(13)3-12/h5-6,13H,1-4H2,(H,10,11).
What are the key properties of 1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol?
1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 201.66 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 91062826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).