1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole

C14H15F2N3 — CID 114720616

IUPAC1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole
SMILESFc1ccc(F)c(Cn2cncc2C2CCNC2)c1
InChIInChI=1S/C14H15F2N3/c15-12-1-2-13(16)11(5-12)8-19-9-18-7-14(19)10-3-4-17-6-10/h1-2,5,7,9-10,17H,3-4,6,8H2
InChIKeyRRJMFXQIVIYWKF-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.29
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole

1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole (PubChem CID 114720616) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole
PubChem CID114720616
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole
SMILESFc1ccc(F)c(Cn2cncc2C2CCNC2)c1
InChIInChI=1S/C14H15F2N3/c15-12-1-2-13(16)11(5-12)8-19-9-18-7-14(19)10-3-4-17-6-10/h1-2,5,7,9-10,17H,3-4,6,8H2
InChIKeyRRJMFXQIVIYWKF-UHFFFAOYSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine
CID 114704736
1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 106261724
5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 114716457
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
5-cyclopropyl-1-[(4-fluorophenyl)methyl]imidazole
CID 116811649
3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
CID 114704979

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole (CID 114720616) is 1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole is Fc1ccc(F)c(Cn2cncc2C2CCNC2)c1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole?
The InChIKey is RRJMFXQIVIYWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-12-1-2-13(16)11(5-12)8-19-9-18-7-14(19)10-3-4-17-6-10/h1-2,5,7,9-10,17H,3-4,6,8H2.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole?
1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole has a molecular weight of 263.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114720616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).