3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine

C15H14FN3O — CID 143001498

IUPAC3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine
SMILESFc1cccc(OCC2=NC[C@H](c3cccnc3)N2)c1
InChIInChI=1S/C15H14FN3O/c16-12-4-1-5-13(7-12)20-10-15-18-9-14(19-15)11-3-2-6-17-8-11/h1-8,14H,9-10H2,(H,18,19)/t14-/m1/s1
InChIKeyLZYDGUBJXWZCIL-CQSZACIVSA-N
MW271.30 g/mol
LogP2.34
Rot. Bonds4

About 3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine

3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine (PubChem CID 143001498) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine
PubChem CID143001498
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine
SMILESFc1cccc(OCC2=NC[C@H](c3cccnc3)N2)c1
InChIInChI=1S/C15H14FN3O/c16-12-4-1-5-13(7-12)20-10-15-18-9-14(19-15)11-3-2-6-17-8-11/h1-8,14H,9-10H2,(H,18,19)/t14-/m1/s1
InChIKeyLZYDGUBJXWZCIL-CQSZACIVSA-N
XLogP2.34
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine?
The IUPAC name of 3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine (CID 143001498) is 3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine is Fc1cccc(OCC2=NC[C@H](c3cccnc3)N2)c1.
What is the InChIKey of 3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine?
The InChIKey is LZYDGUBJXWZCIL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-12-4-1-5-13(7-12)20-10-15-18-9-14(19-15)11-3-2-6-17-8-11/h1-8,14H,9-10H2,(H,18,19)/t14-/m1/s1.
What are the key properties of 3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine?
3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine has a molecular weight of 271.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 143001498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).