2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine

C26H25ClFN5O — CID 70280043

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine
SMILESCc1cc(Cl)cc(C)c1Oc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C26H25ClFN5O/c1-15-13-19(27)14-16(2)24(15)34-26-30-12-9-21(31-26)23-22(17-3-5-20(28)6-4-17)32-25(33-23)18-7-10-29-11-8-18/h3-6,9,12-14,18,29H,7-8,10-11H2,1-2H3,(H,32,33)
InChIKeyCHFQLEMFEXVRAH-UHFFFAOYSA-N
MW477.97 g/mol
LogP6.20
Rot. Bonds5

About 2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine

2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine (PubChem CID 70280043) has the molecular formula C26H25ClFN5O and a molecular weight of 477.97 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine
PubChem CID70280043
Molecular FormulaC26H25ClFN5O
Molecular Weight477.97 g/mol
Exact Mass477.17
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine
SMILESCc1cc(Cl)cc(C)c1Oc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C26H25ClFN5O/c1-15-13-19(27)14-16(2)24(15)34-26-30-12-9-21(31-26)23-22(17-3-5-20(28)6-4-17)32-25(33-23)18-7-10-29-11-8-18/h3-6,9,12-14,18,29H,7-8,10-11H2,1-2H3,(H,32,33)
InChIKeyCHFQLEMFEXVRAH-UHFFFAOYSA-N
XLogP6.20
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.97
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol
CID 69102308
4-[5-[2-[2-(tert-butylamino)ethoxy]pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-one
CID 69104023
2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine
CID 69102822
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 59486734
N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
CID 15840626
4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]-2-(5-methyltetrazol-5-yl)sulfanylpyridine
CID 87695164
4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine
CID 69103133
2-[4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]oxypropan-1-ol
CID 142644906
2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-(2-hydroxyethyl)-5-methyl-1,3-dioxane-5-carboxamide
CID 54422258
2-[4-(4-fluorophenyl)-5-[2-(2-methoxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-amine
CID 22254934
2-[4-[2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]oxy-N,N-dimethylethanamine
CID 22255545
1-[4-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 87695327

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine (CID 70280043) is 2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine is Cc1cc(Cl)cc(C)c1Oc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine?
The InChIKey is CHFQLEMFEXVRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O/c1-15-13-19(27)14-16(2)24(15)34-26-30-12-9-21(31-26)23-22(17-3-5-20(28)6-4-17)32-25(33-23)18-7-10-29-11-8-18/h3-6,9,12-14,18,29H,7-8,10-11H2,1-2H3,(H,32,33).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine?
2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine has a molecular weight of 477.97 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]pyrimidine is sourced from PubChem (CID 70280043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).