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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole
CID 62796313
5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61214388
5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61213947
5-(1,3-benzodioxol-5-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61214973
4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride
CID 90169798
2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine
CID 116881036
3-(4-fluoro-2-methylphenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467090
3-(4-fluoro-2-methylphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole
CID 81273814
5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride
CID 122236371
3-(2-bromo-5-fluorophenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 107923521
5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile
CID 116879884
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43651028

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).