1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole

C14H16FN3 — CID 114703942

IUPAC1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCc1ccc(-n2cncc2C2CCCN2)c(F)c1
InChIInChI=1S/C14H16FN3/c1-10-4-5-13(11(15)7-10)18-9-16-8-14(18)12-3-2-6-17-12/h4-5,7-9,12,17H,2-3,6H2,1H3
InChIKeyGGYWKPOURZRYLU-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.74
Rot. Bonds2

About 1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole

1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole (PubChem CID 114703942) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
PubChem CID114703942
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCc1ccc(-n2cncc2C2CCCN2)c(F)c1
InChIInChI=1S/C14H16FN3/c1-10-4-5-13(11(15)7-10)18-9-16-8-14(18)12-3-2-6-17-12/h4-5,7-9,12,17H,2-3,6H2,1H3
InChIKeyGGYWKPOURZRYLU-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703279
2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine
CID 114702951
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole
CID 107641180
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 107581323
2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine
CID 114705681
1-(4-methylsulfanylphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941741
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
CID 114707633
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole (CID 114703942) is 1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole is Cc1ccc(-n2cncc2C2CCCN2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole?
The InChIKey is GGYWKPOURZRYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-4-5-13(11(15)7-10)18-9-16-8-14(18)12-3-2-6-17-12/h4-5,7-9,12,17H,2-3,6H2,1H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole?
1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 245.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114703942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).