1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole

C16H20FN3 — CID 114706692

IUPAC1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
SMILESCc1cc(F)ccc1CCn1cncc1C1CCCN1
InChIInChI=1S/C16H20FN3/c1-12-9-14(17)5-4-13(12)6-8-20-11-18-10-16(20)15-3-2-7-19-15/h4-5,9-11,15,19H,2-3,6-8H2,1H3
InChIKeyHVSWZMHZKHZFTA-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.00
Rot. Bonds4

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

1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole (PubChem CID 114706692) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
PubChem CID114706692
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
SMILESCc1cc(F)ccc1CCn1cncc1C1CCCN1
InChIInChI=1S/C16H20FN3/c1-12-9-14(17)5-4-13(12)6-8-20-11-18-10-16(20)15-3-2-7-19-15/h4-5,9-11,15,19H,2-3,6-8H2,1H3
InChIKeyHVSWZMHZKHZFTA-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706613
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942355
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
1-[2-(furan-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942485
2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114721154
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide
CID 104942233
2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine
CID 114707003
2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
CID 114703963

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole (CID 114706692) is 1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole is Cc1cc(F)ccc1CCn1cncc1C1CCCN1.
What is the InChIKey of 1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole?
The InChIKey is HVSWZMHZKHZFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-12-9-14(17)5-4-13(12)6-8-20-11-18-10-16(20)15-3-2-7-19-15/h4-5,9-11,15,19H,2-3,6-8H2,1H3.
What are the key properties of 1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole?
1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole has a molecular weight of 273.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114706692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).