1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol

C8H12ClN3O — CID 23064556

IUPAC1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)c(Cl)[nH]1
InChIInChI=1S/C8H12ClN3O/c1-5-10-7(9)8(11-5)12-3-2-6(13)4-12/h6,13H,2-4H2,1H3,(H,10,11)
InChIKeyIEIPHADNGIJRQE-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.94
Rot. Bonds1

About 1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol

1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol (PubChem CID 23064556) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol
PubChem CID23064556
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)c(Cl)[nH]1
InChIInChI=1S/C8H12ClN3O/c1-5-10-7(9)8(11-5)12-3-2-6(13)4-12/h6,13H,2-4H2,1H3,(H,10,11)
InChIKeyIEIPHADNGIJRQE-UHFFFAOYSA-N
XLogP0.94
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol (CID 23064556) is 1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol is Cc1nc(N2CCC(O)C2)c(Cl)[nH]1.
What is the InChIKey of 1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol?
The InChIKey is IEIPHADNGIJRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-5-10-7(9)8(11-5)12-3-2-6(13)4-12/h6,13H,2-4H2,1H3,(H,10,11).
What are the key properties of 1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol?
1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol has a molecular weight of 201.66 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 23064556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).