4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine

C27H28FN5O — CID 18536638

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine
SMILESCC(C)c1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1
InChIInChI=1S/C27H28FN5O/c1-18(2)19-5-9-23(10-6-19)34-27-30-16-13-24(32-27)26-25(20-3-7-21(28)8-4-20)31-17-33(26)22-11-14-29-15-12-22/h3-10,13,16-18,22,29H,11-12,14-15H2,1-2H3
InChIKeyVXCGYMIHTIKLPL-UHFFFAOYSA-N
MW457.55 g/mol
LogP5.99
Rot. Bonds6

About 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine (PubChem CID 18536638) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine
PubChem CID18536638
Molecular FormulaC27H28FN5O
Molecular Weight457.55 g/mol
Exact Mass457.23
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine
SMILESCC(C)c1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1
InChIInChI=1S/C27H28FN5O/c1-18(2)19-5-9-23(10-6-19)34-27-30-16-13-24(32-27)26-25(20-3-7-21(28)8-4-20)31-17-33(26)22-11-14-29-15-12-22/h3-10,13,16-18,22,29H,11-12,14-15H2,1-2H3
InChIKeyVXCGYMIHTIKLPL-UHFFFAOYSA-N
XLogP5.99
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Astemizole
CID 2247
Lirafugratinib
CID 155309155
2-[4-(4-Fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
CID 9931156
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
CID 9543517
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-benzamide
CID 9890357
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]-2-(2-Methoxyphenoxy)pyrimidine
CID 15872406

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine (CID 18536638) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine is CC(C)c1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine?
The InChIKey is VXCGYMIHTIKLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O/c1-18(2)19-5-9-23(10-6-19)34-27-30-16-13-24(32-27)26-25(20-3-7-21(28)8-4-20)31-17-33(26)22-11-14-29-15-12-22/h3-10,13,16-18,22,29H,11-12,14-15H2,1-2H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine?
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-propan-2-ylphenoxy)pyrimidine has a molecular weight of 457.55 g/mol, XLogP of 5.99, 6 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-propan-2-ylphenoxy)pyrimidine is sourced from PubChem (CID 18536638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).