2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

C23H19F3N6O — CID 160841086

About 2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 160841086) has the molecular formula C23H19F3N6O and a molecular weight of 452.44 g/mol. Its IUPAC name is 2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
• PubChem CID: 160841086
• Molecular Formula: C23H19F3N6O
• Molecular Weight: 452.44 g/mol
• Exact Mass: 452.16
• IUPAC Name: 2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
• SMILES: Cn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C(F)(F)F)ccn4)cc3)cn2)c1
• InChI: InChI=1S/C23H19F3N6O/c1-32-13-19(30-14-32)10-20-28-11-17(12-29-20)16-4-2-15(3-5-16)8-22(33)31-21-9-18(6-7-27-21)23(24,25)26/h2-7,9,11-14H,8,10H2,1H3,(H,27,31,33)
• InChIKey: SIARMZCRDLCSKC-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.44
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?

The IUPAC name of 2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 160841086) is 2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

What is the SMILES notation for 2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?

The canonical SMILES for 2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is Cn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C(F)(F)F)ccn4)cc3)cn2)c1.

What is the InChIKey of 2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?

The InChIKey is SIARMZCRDLCSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O/c1-32-13-19(30-14-32)10-20-28-11-17(12-29-20)16-4-2-15(3-5-16)8-22(33)31-21-9-18(6-7-27-21)23(24,25)26/h2-7,9,11-14H,8,10H2,1H3,(H,27,31,33).

What are the key properties of 2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?

2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 452.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 160841086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).