1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole

C13H13F2N3 — CID 114716891

IUPAC1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
SMILESFc1ccc(-n2cncc2C2CCNC2)c(F)c1
InChIInChI=1S/C13H13F2N3/c14-10-1-2-12(11(15)5-10)18-8-17-7-13(18)9-3-4-16-6-9/h1-2,5,7-9,16H,3-4,6H2
InChIKeyLOIYYAXMBCPYTM-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.23
Rot. Bonds2

About 1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole

1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114716891) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
PubChem CID114716891
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
SMILESFc1ccc(-n2cncc2C2CCNC2)c(F)c1
InChIInChI=1S/C13H13F2N3/c14-10-1-2-12(11(15)5-10)18-8-17-7-13(18)9-3-4-16-6-9/h1-2,5,7-9,16H,3-4,6H2
InChIKeyLOIYYAXMBCPYTM-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
CID 114720008
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
2-[3-(2,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703279
5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole
CID 114716072
4-[3-(2-fluorophenyl)imidazol-4-yl]piperidine
CID 114703452
1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole
CID 114720616
1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716753
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716120
3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
CID 114223410
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole (CID 114716891) is 1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole is Fc1ccc(-n2cncc2C2CCNC2)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is LOIYYAXMBCPYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c14-10-1-2-12(11(15)5-10)18-8-17-7-13(18)9-3-4-16-6-9/h1-2,5,7-9,16H,3-4,6H2.
What are the key properties of 1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole?
1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 249.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114716891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).