1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole

C17H22FN3 — CID 86814329

IUPAC1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole
SMILESCc1nccn1CCCN1CCC(c2cccc(F)c2)C1
InChIInChI=1S/C17H22FN3/c1-14-19-7-11-21(14)9-3-8-20-10-6-16(13-20)15-4-2-5-17(18)12-15/h2,4-5,7,11-12,16H,3,6,8-10,13H2,1H3
InChIKeyJKGYDMBQKWPCFG-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.21
Rot. Bonds5

About 1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole

1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole (PubChem CID 86814329) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole
PubChem CID86814329
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole
SMILESCc1nccn1CCCN1CCC(c2cccc(F)c2)C1
InChIInChI=1S/C17H22FN3/c1-14-19-7-11-21(14)9-3-8-20-10-6-16(13-20)15-4-2-5-17(18)12-15/h2,4-5,7,11-12,16H,3,6,8-10,13H2,1H3
InChIKeyJKGYDMBQKWPCFG-UHFFFAOYSA-N
XLogP3.21
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole?
The IUPAC name of 1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole (CID 86814329) is 1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole.
What is the SMILES notation for 1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole?
The canonical SMILES for 1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole is Cc1nccn1CCCN1CCC(c2cccc(F)c2)C1.
What is the InChIKey of 1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole?
The InChIKey is JKGYDMBQKWPCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-14-19-7-11-21(14)9-3-8-20-10-6-16(13-20)15-4-2-5-17(18)12-15/h2,4-5,7,11-12,16H,3,6,8-10,13H2,1H3.
What are the key properties of 1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole?
1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole has a molecular weight of 287.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole is sourced from PubChem (CID 86814329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).