2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole

C16H19F2N3 — CID 124949205

IUPAC2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
SMILESCc1cn(C)c([C@H]2CCN(Cc3cccc(F)c3F)C2)n1
InChIInChI=1S/C16H19F2N3/c1-11-8-20(2)16(19-11)13-6-7-21(10-13)9-12-4-3-5-14(17)15(12)18/h3-5,8,13H,6-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyCSJIHWKMORKDLX-ZDUSSCGKSA-N
MW291.34 g/mol
LogP3.00
Rot. Bonds3

About 2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole

2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole (PubChem CID 124949205) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole.

Molecular Properties

Compound Name2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
PubChem CID124949205
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC Name2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
SMILESCc1cn(C)c([C@H]2CCN(Cc3cccc(F)c3F)C2)n1
InChIInChI=1S/C16H19F2N3/c1-11-8-20(2)16(19-11)13-6-7-21(10-13)9-12-4-3-5-14(17)15(12)18/h3-5,8,13H,6-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyCSJIHWKMORKDLX-ZDUSSCGKSA-N
XLogP3.00
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 124959224
2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 125000961
1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole
CID 124959858
3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 110104154
1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502450
3-tert-butyl-5-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 46956678
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
(3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine
CID 125025540
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
1-[(2,3-difluorophenyl)methyl]-4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperidine
CID 45212930
2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 125025801
1-[(2,3-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923818

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole?
The IUPAC name of 2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole (CID 124949205) is 2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole.
What is the SMILES notation for 2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole?
The canonical SMILES for 2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole is Cc1cn(C)c([C@H]2CCN(Cc3cccc(F)c3F)C2)n1.
What is the InChIKey of 2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole?
The InChIKey is CSJIHWKMORKDLX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-11-8-20(2)16(19-11)13-6-7-21(10-13)9-12-4-3-5-14(17)15(12)18/h3-5,8,13H,6-7,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole?
2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole has a molecular weight of 291.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole is sourced from PubChem (CID 124949205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).