4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one

C26H28FN3O2 — CID 90770592

IUPAC4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one
SMILESCc1cc(CCCC(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)C2)cnc1F
InChIInChI=1S/C26H28FN3O2/c1-20-16-22(17-28-26(20)27)8-5-9-25(31)30-15-14-29(19-30)23-10-12-24(13-11-23)32-18-21-6-3-2-4-7-21/h2-4,6-7,10-13,16-17H,5,8-9,14-15,18-19H2,1H3
InChIKeyFOKWCNGUKLWRBF-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.74
Rot. Bonds8

About 4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one

4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one (PubChem CID 90770592) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one
PubChem CID90770592
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC Name4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one
SMILESCc1cc(CCCC(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)C2)cnc1F
InChIInChI=1S/C26H28FN3O2/c1-20-16-22(17-28-26(20)27)8-5-9-25(31)30-15-14-29(19-30)23-10-12-24(13-11-23)32-18-21-6-3-2-4-7-21/h2-4,6-7,10-13,16-17H,5,8-9,14-15,18-19H2,1H3
InChIKeyFOKWCNGUKLWRBF-UHFFFAOYSA-N
XLogP4.74
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one?
The IUPAC name of 4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one (CID 90770592) is 4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one?
The canonical SMILES for 4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one is Cc1cc(CCCC(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)C2)cnc1F.
What is the InChIKey of 4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one?
The InChIKey is FOKWCNGUKLWRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-20-16-22(17-28-26(20)27)8-5-9-25(31)30-15-14-29(19-30)23-10-12-24(13-11-23)32-18-21-6-3-2-4-7-21/h2-4,6-7,10-13,16-17H,5,8-9,14-15,18-19H2,1H3.
What are the key properties of 4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one?
4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one has a molecular weight of 433.53 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-5-methyl-3-pyridinyl)-1-[3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]butan-1-one is sourced from PubChem (CID 90770592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).