1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole

C14H16FN3 — CID 114716903

IUPAC1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
SMILESCc1ccc(F)cc1-n1cncc1C1CCNC1
InChIInChI=1S/C14H16FN3/c1-10-2-3-12(15)6-13(10)18-9-17-8-14(18)11-4-5-16-7-11/h2-3,6,8-9,11,16H,4-5,7H2,1H3
InChIKeySSHBZZRLFGBIDO-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.40
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole

1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114716903) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
PubChem CID114716903
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
SMILESCc1ccc(F)cc1-n1cncc1C1CCNC1
InChIInChI=1S/C14H16FN3/c1-10-2-3-12(15)6-13(10)18-9-17-8-14(18)11-4-5-16-7-11/h2-3,6,8-9,11,16H,4-5,7H2,1H3
InChIKeySSHBZZRLFGBIDO-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine
CID 114703213
5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
CID 114720008
1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716753
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole
CID 114716072
1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole
CID 114720616
5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole
CID 103587997
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703160

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole (CID 114716903) is 1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole is Cc1ccc(F)cc1-n1cncc1C1CCNC1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is SSHBZZRLFGBIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-2-3-12(15)6-13(10)18-9-17-8-14(18)11-4-5-16-7-11/h2-3,6,8-9,11,16H,4-5,7H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole?
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 245.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114716903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).