2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine

C52H50F2N10O2 — CID 70196666

IUPAC2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
SMILESCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(F)cc4)nc(-c4nc(-c5ccc(F)cc5)c(-c5ccnc(Oc6cc(C)ccc6C)n5)n4C4CCNCC4)n3C3CCNCC3)n2)c1
InChIInChI=1S/C52H50F2N10O2/c1-31-5-6-34(4)44(30-31)66-52-58-26-20-43(60-52)48-46(36-9-13-38(54)14-10-36)62-50(64(48)40-17-23-56-24-18-40)49-61-45(35-7-11-37(53)12-8-35)47(63(49)39-15-21-55-22-16-39)42-19-25-57-51(59-42)65-41-28-32(2)27-33(3)29-41/h5-14,19-20,25-30,39-40,55-56H,15-18,21-24H2,1-4H3
InChIKeyBZMINUZAFRMKMW-UHFFFAOYSA-N
MW885.04 g/mol
LogP10.94
Rot. Bonds11

About 2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine

2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine (PubChem CID 70196666) has the molecular formula C52H50F2N10O2 and a molecular weight of 885.04 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
PubChem CID70196666
Molecular FormulaC52H50F2N10O2
Molecular Weight885.04 g/mol
Exact Mass884.41
IUPAC Name2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
SMILESCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(F)cc4)nc(-c4nc(-c5ccc(F)cc5)c(-c5ccnc(Oc6cc(C)ccc6C)n5)n4C4CCNCC4)n3C3CCNCC3)n2)c1
InChIInChI=1S/C52H50F2N10O2/c1-31-5-6-34(4)44(30-31)66-52-58-26-20-43(60-52)48-46(36-9-13-38(54)14-10-36)62-50(64(48)40-17-23-56-24-18-40)49-61-45(35-7-11-37(53)12-8-35)47(63(49)39-15-21-55-22-16-39)42-19-25-57-51(59-42)65-41-28-32(2)27-33(3)29-41/h5-14,19-20,25-30,39-40,55-56H,15-18,21-24H2,1-4H3
InChIKeyBZMINUZAFRMKMW-UHFFFAOYSA-N
XLogP10.94
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500885.04
LogP ≤ 510.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The IUPAC name of 2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine (CID 70196666) is 2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine is Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(F)cc4)nc(-c4nc(-c5ccc(F)cc5)c(-c5ccnc(Oc6cc(C)ccc6C)n5)n4C4CCNCC4)n3C3CCNCC3)n2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The InChIKey is BZMINUZAFRMKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50F2N10O2/c1-31-5-6-34(4)44(30-31)66-52-58-26-20-43(60-52)48-46(36-9-13-38(54)14-10-36)62-50(64(48)40-17-23-56-24-18-40)49-61-45(35-7-11-37(53)12-8-35)47(63(49)39-15-21-55-22-16-39)42-19-25-57-51(59-42)65-41-28-32(2)27-33(3)29-41/h5-14,19-20,25-30,39-40,55-56H,15-18,21-24H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine has a molecular weight of 885.04 g/mol, XLogP of 10.94, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine is sourced from PubChem (CID 70196666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).