4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine

C52H50F2N10O3 — CID 10284497

IUPAC4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine
SMILESFc1ccc(-c2ncn(C3CCN(CCOCCN4CCC(n5cnc(-c6ccc(F)cc6)c5-c5ccnc(Oc6ccccc6)n5)CC4)CC3)c2-c2ccnc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C52H50F2N10O3/c53-39-15-11-37(12-16-39)47-49(45-19-25-55-51(59-45)66-43-7-3-1-4-8-43)63(35-57-47)41-21-27-61(28-22-41)31-33-65-34-32-62-29-23-42(24-30-62)64-36-58-48(38-13-17-40(54)18-14-38)50(64)46-20-26-56-52(60-46)67-44-9-5-2-6-10-44/h1-20,25-26,35-36,41-42H,21-24,27-34H2
InChIKeyCRFUBVGBEPVPBK-UHFFFAOYSA-N
MW901.04 g/mol
LogP10.18
Rot. Bonds16

About 4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine

4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine (PubChem CID 10284497) has the molecular formula C52H50F2N10O3 and a molecular weight of 901.04 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine
PubChem CID10284497
Molecular FormulaC52H50F2N10O3
Molecular Weight901.04 g/mol
Exact Mass900.40
IUPAC Name4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine
SMILESFc1ccc(-c2ncn(C3CCN(CCOCCN4CCC(n5cnc(-c6ccc(F)cc6)c5-c5ccnc(Oc6ccccc6)n5)CC4)CC3)c2-c2ccnc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C52H50F2N10O3/c53-39-15-11-37(12-16-39)47-49(45-19-25-55-51(59-45)66-43-7-3-1-4-8-43)63(35-57-47)41-21-27-61(28-22-41)31-33-65-34-32-62-29-23-42(24-30-62)64-36-58-48(38-13-17-40(54)18-14-38)50(64)46-20-26-56-52(60-46)67-44-9-5-2-6-10-44/h1-20,25-26,35-36,41-42H,21-24,27-34H2
InChIKeyCRFUBVGBEPVPBK-UHFFFAOYSA-N
XLogP10.18
TPSA121.37 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.04
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine with MolForge

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Related Compounds

2-[4-(4-Fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
CID 9931156
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-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-2-(4-methoxy-phenoxy)-pyrimidine
CID 9868139
4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methoxy-benzyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-pyrimidin-2-ylamine
CID 10225532
2-(4-Ethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 10321190
2-(4-Benzyloxy-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 15872390
4-[4-(4-Fluoro-phenyl)-5-(2-phenoxy-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol
CID 15872393
2-(4-Biphenylyloxy)-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872399
4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-2-(4-phenoxy-phenoxy)-pyrimidine
CID 15872400
2-(3-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 15872404
2-(2-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 15872405

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine (CID 10284497) is 4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine is Fc1ccc(-c2ncn(C3CCN(CCOCCN4CCC(n5cnc(-c6ccc(F)cc6)c5-c5ccnc(Oc6ccccc6)n5)CC4)CC3)c2-c2ccnc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine?
The InChIKey is CRFUBVGBEPVPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50F2N10O3/c53-39-15-11-37(12-16-39)47-49(45-19-25-55-51(59-45)66-43-7-3-1-4-8-43)63(35-57-47)41-21-27-61(28-22-41)31-33-65-34-32-62-29-23-42(24-30-62)64-36-58-48(38-13-17-40(54)18-14-38)50(64)46-20-26-56-52(60-46)67-44-9-5-2-6-10-44/h1-20,25-26,35-36,41-42H,21-24,27-34H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine?
4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine has a molecular weight of 901.04 g/mol, XLogP of 10.18, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-[1-[2-[2-[4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]imidazol-4-yl]-2-phenoxypyrimidine is sourced from PubChem (CID 10284497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).