4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine

C25H21F4N5O — CID 18536624

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C25H21F4N5O/c26-18-5-1-16(2-6-18)22-23(34(15-32-22)19-9-12-30-13-10-19)21-11-14-31-24(33-21)35-20-7-3-17(4-8-20)25(27,28)29/h1-8,11,14-15,19,30H,9-10,12-13H2
InChIKeyRGBPHRPXZHAAJH-UHFFFAOYSA-N
MW483.47 g/mol
LogP5.88
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 18536624) has the molecular formula C25H21F4N5O and a molecular weight of 483.47 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID18536624
Molecular FormulaC25H21F4N5O
Molecular Weight483.47 g/mol
Exact Mass483.17
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C25H21F4N5O/c26-18-5-1-16(2-6-18)22-23(34(15-32-22)19-9-12-30-13-10-19)21-11-14-31-24(33-21)35-20-7-3-17(4-8-20)25(27,28)29/h1-8,11,14-15,19,30H,9-10,12-13H2
InChIKeyRGBPHRPXZHAAJH-UHFFFAOYSA-N
XLogP5.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.47
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine (CID 18536624) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine is Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is RGBPHRPXZHAAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N5O/c26-18-5-1-16(2-6-18)22-23(34(15-32-22)19-9-12-30-13-10-19)21-11-14-31-24(33-21)35-20-7-3-17(4-8-20)25(27,28)29/h1-8,11,14-15,19,30H,9-10,12-13H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine?
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 483.47 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 18536624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).