[4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine

C27H26F4N6 — CID 150319524

About [4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine

[4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine (PubChem CID 150319524) has the molecular formula C27H26F4N6 and a molecular weight of 510.54 g/mol. Its IUPAC name is [4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine.

Molecular Properties

• Compound Name: [4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine
• PubChem CID: 150319524
• Molecular Formula: C27H26F4N6
• Molecular Weight: 510.54 g/mol
• Exact Mass: 510.22
• IUPAC Name: [4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine
• SMILES: Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncncc2-c2ccc(CN)cc2)CC1
• InChI: InChI=1S/C27H26F4N6/c1-36-15-24(20-6-7-23(28)22(12-20)27(29,30)31)35-25(36)19-8-10-37(11-9-19)26-21(14-33-16-34-26)18-4-2-17(13-32)3-5-18/h2-7,12,14-16,19H,8-11,13,32H2,1H3
• InChIKey: GNICPZQOISFXLZ-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 72.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.54
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine?

The IUPAC name of [4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine (CID 150319524) is [4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine.

What is the SMILES notation for [4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine?

The canonical SMILES for [4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine is Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncncc2-c2ccc(CN)cc2)CC1.

What is the InChIKey of [4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine?

The InChIKey is GNICPZQOISFXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N6/c1-36-15-24(20-6-7-23(28)22(12-20)27(29,30)31)35-25(36)19-8-10-37(11-9-19)26-21(14-33-16-34-26)18-4-2-17(13-32)3-5-18/h2-7,12,14-16,19H,8-11,13,32H2,1H3.

What are the key properties of [4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine?

[4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine has a molecular weight of 510.54 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine is sourced from PubChem (CID 150319524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).