2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole

C16H20FN3O — CID 56870440

IUPAC2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole
SMILESCOc1ccc(F)c(-c2nccn2CCN2CCCC2)c1
InChIInChI=1S/C16H20FN3O/c1-21-13-4-5-15(17)14(12-13)16-18-6-9-20(16)11-10-19-7-2-3-8-19/h4-6,9,12H,2-3,7-8,10-11H2,1H3
InChIKeyRAWRZBHOZVDKRB-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.79
Rot. Bonds5

About 2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole

2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole (PubChem CID 56870440) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole
PubChem CID56870440
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole
SMILESCOc1ccc(F)c(-c2nccn2CCN2CCCC2)c1
InChIInChI=1S/C16H20FN3O/c1-21-13-4-5-15(17)14(12-13)16-18-6-9-20(16)11-10-19-7-2-3-8-19/h4-6,9,12H,2-3,7-8,10-11H2,1H3
InChIKeyRAWRZBHOZVDKRB-UHFFFAOYSA-N
XLogP2.79
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole (CID 56870440) is 2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole is COc1ccc(F)c(-c2nccn2CCN2CCCC2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole?
The InChIKey is RAWRZBHOZVDKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-21-13-4-5-15(17)14(12-13)16-18-6-9-20(16)11-10-19-7-2-3-8-19/h4-6,9,12H,2-3,7-8,10-11H2,1H3.
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole?
2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole has a molecular weight of 289.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazole is sourced from PubChem (CID 56870440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).