4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine

C23H26F3N5O — CID 20778891

IUPAC4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1[nH]cnc1C1CCN(c2nc(OC(C)C)ncc2-c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H26F3N5O/c1-14(2)32-22-27-12-19(17-5-4-6-18(11-17)23(24,25)26)21(30-22)31-9-7-16(8-10-31)20-15(3)28-13-29-20/h4-6,11-14,16H,7-10H2,1-3H3,(H,28,29)
InChIKeyNHPWZFUTKHBHON-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.37
Rot. Bonds5

About 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine

4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 20778891) has the molecular formula C23H26F3N5O and a molecular weight of 445.49 g/mol. Its IUPAC name is 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID20778891
Molecular FormulaC23H26F3N5O
Molecular Weight445.49 g/mol
Exact Mass445.21
IUPAC Name4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1[nH]cnc1C1CCN(c2nc(OC(C)C)ncc2-c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H26F3N5O/c1-14(2)32-22-27-12-19(17-5-4-6-18(11-17)23(24,25)26)21(30-22)31-9-7-16(8-10-31)20-15(3)28-13-29-20/h4-6,11-14,16H,7-10H2,1-3H3,(H,28,29)
InChIKeyNHPWZFUTKHBHON-UHFFFAOYSA-N
XLogP5.37
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine (CID 20778891) is 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine is Cc1[nH]cnc1C1CCN(c2nc(OC(C)C)ncc2-c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is NHPWZFUTKHBHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O/c1-14(2)32-22-27-12-19(17-5-4-6-18(11-17)23(24,25)26)21(30-22)31-9-7-16(8-10-31)20-15(3)28-13-29-20/h4-6,11-14,16H,7-10H2,1-3H3,(H,28,29).
What are the key properties of 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine?
4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 445.49 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 20778891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).