2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine

C24H20F3N5O — CID 15872408

IUPAC2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C24H20F3N5O/c25-16-3-1-15(2-4-16)22-23(32(14-30-22)17-7-10-28-11-8-17)21-9-12-29-24(31-21)33-18-5-6-19(26)20(27)13-18/h1-6,9,12-14,17,28H,7-8,10-11H2
InChIKeyHIPGWLDSFHGAAY-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.14
Rot. Bonds5

About 2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine

2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine (PubChem CID 15872408) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
PubChem CID15872408
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC Name2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C24H20F3N5O/c25-16-3-1-15(2-4-16)22-23(32(14-30-22)17-7-10-28-11-8-17)21-9-12-29-24(31-21)33-18-5-6-19(26)20(27)13-18/h1-6,9,12-14,17,28H,7-8,10-11H2
InChIKeyHIPGWLDSFHGAAY-UHFFFAOYSA-N
XLogP5.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The IUPAC name of 2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine (CID 15872408) is 2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The canonical SMILES for 2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine is Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The InChIKey is HIPGWLDSFHGAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c25-16-3-1-15(2-4-16)22-23(32(14-30-22)17-7-10-28-11-8-17)21-9-12-29-24(31-21)33-18-5-6-19(26)20(27)13-18/h1-6,9,12-14,17,28H,7-8,10-11H2.
What are the key properties of 2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine has a molecular weight of 451.45 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine is sourced from PubChem (CID 15872408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).