5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole

C14H15F2N3O — CID 61214828

IUPAC5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
SMILESCOC1CNC(c2ncc(-c3ccc(F)cc3F)[nH]2)C1
InChIInChI=1S/C14H15F2N3O/c1-20-9-5-12(17-6-9)14-18-7-13(19-14)10-3-2-8(15)4-11(10)16/h2-4,7,9,12,17H,5-6H2,1H3,(H,18,19)
InChIKeySAEMIBPLOBOQGZ-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.40
Rot. Bonds3

About 5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole

5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole (PubChem CID 61214828) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
PubChem CID61214828
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
SMILESCOC1CNC(c2ncc(-c3ccc(F)cc3F)[nH]2)C1
InChIInChI=1S/C14H15F2N3O/c1-20-9-5-12(17-6-9)14-18-7-13(19-14)10-3-2-8(15)4-11(10)16/h2-4,7,9,12,17H,5-6H2,1H3,(H,18,19)
InChIKeySAEMIBPLOBOQGZ-UHFFFAOYSA-N
XLogP2.40
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole?
The IUPAC name of 5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole (CID 61214828) is 5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole is COC1CNC(c2ncc(-c3ccc(F)cc3F)[nH]2)C1.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole?
The InChIKey is SAEMIBPLOBOQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-20-9-5-12(17-6-9)14-18-7-13(19-14)10-3-2-8(15)4-11(10)16/h2-4,7,9,12,17H,5-6H2,1H3,(H,18,19).
What are the key properties of 5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole?
5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole has a molecular weight of 279.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole is sourced from PubChem (CID 61214828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).