5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole

C14H16FN3O — CID 129096364

IUPAC5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole
SMILESCO[C@H]1CN[C@H](c2ncc(-c3cccc(F)c3)[nH]2)C1
InChIInChI=1S/C14H16FN3O/c1-19-11-6-12(16-7-11)14-17-8-13(18-14)9-3-2-4-10(15)5-9/h2-5,8,11-12,16H,6-7H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyVGJQQVWRFLABDW-NEPJUHHUSA-N
MW261.30 g/mol
LogP2.27
Rot. Bonds3

About 5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole

5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole (PubChem CID 129096364) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole
PubChem CID129096364
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole
SMILESCO[C@H]1CN[C@H](c2ncc(-c3cccc(F)c3)[nH]2)C1
InChIInChI=1S/C14H16FN3O/c1-19-11-6-12(16-7-11)14-17-8-13(18-14)9-3-2-4-10(15)5-9/h2-5,8,11-12,16H,6-7H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyVGJQQVWRFLABDW-NEPJUHHUSA-N
XLogP2.27
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole (CID 129096364) is 5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole is CO[C@H]1CN[C@H](c2ncc(-c3cccc(F)c3)[nH]2)C1.
What is the InChIKey of 5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole?
The InChIKey is VGJQQVWRFLABDW-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-19-11-6-12(16-7-11)14-17-8-13(18-14)9-3-2-4-10(15)5-9/h2-5,8,11-12,16H,6-7H2,1H3,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of 5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole?
5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole has a molecular weight of 261.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 129096364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).