2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol

C19H20F3N5O — CID 72703651

About 2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol

2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 72703651) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol
• PubChem CID: 72703651
• Molecular Formula: C19H20F3N5O
• Molecular Weight: 391.40 g/mol
• Exact Mass: 391.16
• IUPAC Name: 2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol
• SMILES: Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-n2cc(C(C)(C)O)nc2C)c1
• InChI: InChI=1S/C19H20F3N5O/c1-11-7-13(25-17-23-6-5-15(26-17)19(20,21)22)9-14(8-11)27-10-16(18(3,4)28)24-12(27)2/h5-10,28H,1-4H3,(H,23,25,26)
• InChIKey: PUROZBMFZWJQRR-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 75.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.40
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol?

The IUPAC name of 2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol (CID 72703651) is 2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol.

What is the SMILES notation for 2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol?

The canonical SMILES for 2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-n2cc(C(C)(C)O)nc2C)c1.

What is the InChIKey of 2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol?

The InChIKey is PUROZBMFZWJQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-11-7-13(25-17-23-6-5-15(26-17)19(20,21)22)9-14(8-11)27-10-16(18(3,4)28)24-12(27)2/h5-10,28H,1-4H3,(H,23,25,26).

What are the key properties of 2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol?

2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 391.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 72703651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).