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

C31H28FN5O2 — CID 15872390

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(OCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C31H28FN5O2/c32-24-8-6-23(7-9-24)29-30(37(21-35-29)25-14-17-33-18-15-25)28-16-19-34-31(36-28)39-27-12-10-26(11-13-27)38-20-22-4-2-1-3-5-22/h1-13,16,19,21,25,33H,14-15,17-18,20H2
InChIKeyVPSFNIDXLTWLCB-UHFFFAOYSA-N
MW521.60 g/mol
LogP6.44
Rot. Bonds8

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

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine (PubChem CID 15872390) has the molecular formula C31H28FN5O2 and a molecular weight of 521.60 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine
PubChem CID15872390
Molecular FormulaC31H28FN5O2
Molecular Weight521.60 g/mol
Exact Mass521.22
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(OCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C31H28FN5O2/c32-24-8-6-23(7-9-24)29-30(37(21-35-29)25-14-17-33-18-15-25)28-16-19-34-31(36-28)39-27-12-10-26(11-13-27)38-20-22-4-2-1-3-5-22/h1-13,16,19,21,25,33H,14-15,17-18,20H2
InChIKeyVPSFNIDXLTWLCB-UHFFFAOYSA-N
XLogP6.44
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.60
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-Fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
CID 9931156
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
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
2-(4-tert-Butyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536613
2-(4-Chloro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536627
2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
2-(2-(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-yloxy)phenyl)acetamide
CID 53239985

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine (CID 15872390) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine is Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(OCc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine?
The InChIKey is VPSFNIDXLTWLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN5O2/c32-24-8-6-23(7-9-24)29-30(37(21-35-29)25-14-17-33-18-15-25)28-16-19-34-31(36-28)39-27-12-10-26(11-13-27)38-20-22-4-2-1-3-5-22/h1-13,16,19,21,25,33H,14-15,17-18,20H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine?
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine has a molecular weight of 521.60 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine is sourced from PubChem (CID 15872390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).