3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine

C27H25F3N4O — CID 89445588

IUPAC3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine
SMILESCOc1ccc(-c2cnccc2N2CCC(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1
InChIInChI=1S/C27H25F3N4O/c1-35-22-7-5-18(6-8-22)23-16-31-12-9-25(23)34-13-10-19(11-14-34)26-32-17-24(33-26)20-3-2-4-21(15-20)27(28,29)30/h2-9,12,15-17,19H,10-11,13-14H2,1H3,(H,32,33)
InChIKeyQHIYHKQGJNILQE-UHFFFAOYSA-N
MW478.52 g/mol
LogP6.55
Rot. Bonds5

About 3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine

3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine (PubChem CID 89445588) has the molecular formula C27H25F3N4O and a molecular weight of 478.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine
PubChem CID89445588
Molecular FormulaC27H25F3N4O
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine
SMILESCOc1ccc(-c2cnccc2N2CCC(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1
InChIInChI=1S/C27H25F3N4O/c1-35-22-7-5-18(6-8-22)23-16-31-12-9-25(23)34-13-10-19(11-14-34)26-32-17-24(33-26)20-3-2-4-21(15-20)27(28,29)30/h2-9,12,15-17,19H,10-11,13-14H2,1H3,(H,32,33)
InChIKeyQHIYHKQGJNILQE-UHFFFAOYSA-N
XLogP6.55
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine (CID 89445588) is 3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine is COc1ccc(-c2cnccc2N2CCC(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine?
The InChIKey is QHIYHKQGJNILQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O/c1-35-22-7-5-18(6-8-22)23-16-31-12-9-25(23)34-13-10-19(11-14-34)26-32-17-24(33-26)20-3-2-4-21(15-20)27(28,29)30/h2-9,12,15-17,19H,10-11,13-14H2,1H3,(H,32,33).
What are the key properties of 3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine?
3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine has a molecular weight of 478.52 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 89445588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).