5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole

C14H15F2N3O — CID 43650697

IUPAC5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
SMILESFC(F)Oc1ccccc1-c1cnc(C2CCCN2)[nH]1
InChIInChI=1S/C14H15F2N3O/c15-14(16)20-12-6-2-1-4-9(12)11-8-18-13(19-11)10-5-3-7-17-10/h1-2,4,6,8,10,14,17H,3,5,7H2,(H,18,19)
InChIKeyZUBPABFKNQIOSF-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.10
Rot. Bonds4

About 5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole

5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole (PubChem CID 43650697) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
PubChem CID43650697
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
SMILESFC(F)Oc1ccccc1-c1cnc(C2CCCN2)[nH]1
InChIInChI=1S/C14H15F2N3O/c15-14(16)20-12-6-2-1-4-9(12)11-8-18-13(19-11)10-5-3-7-17-10/h1-2,4,6,8,10,14,17H,3,5,7H2,(H,18,19)
InChIKeyZUBPABFKNQIOSF-UHFFFAOYSA-N
XLogP3.10
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255754
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651095
5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 138691138
5-[2-(difluoromethoxy)phenyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317222
5-fluoro-2-(2-piperidin-2-yl-1H-imidazol-5-yl)pyridine
CID 83124993
2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane
CID 83124606
5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 116877522
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
2-pyrrolidin-2-yl-5-[9,9,10,10-tetrafluoro-7-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenanthren-2-yl]-1H-imidazole
CID 144878023
2-[(2S)-pyrrolidin-2-yl]-5-[9,9,10,10-tetrafluoro-7-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenanthren-2-yl]-1H-imidazole
CID 118220423
2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
CID 167720492

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole?
The IUPAC name of 5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole (CID 43650697) is 5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole.
What is the SMILES notation for 5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole?
The canonical SMILES for 5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole is FC(F)Oc1ccccc1-c1cnc(C2CCCN2)[nH]1.
What is the InChIKey of 5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole?
The InChIKey is ZUBPABFKNQIOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-14(16)20-12-6-2-1-4-9(12)11-8-18-13(19-11)10-5-3-7-17-10/h1-2,4,6,8,10,14,17H,3,5,7H2,(H,18,19).
What are the key properties of 5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole?
5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole has a molecular weight of 279.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole is sourced from PubChem (CID 43650697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).