1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea

C25H24F3N5O2 — CID 141097717

About 1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea

1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea (PubChem CID 141097717) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is 1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea
• PubChem CID: 141097717
• Molecular Formula: C25H24F3N5O2
• Molecular Weight: 483.49 g/mol
• Exact Mass: 483.19
• IUPAC Name: 1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea
• SMILES: CC1=CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccnc(NC(=O)NCc2ccccc2)c1
• InChI: InChI=1S/C25H24F3N5O2/c1-18-15-33(21-7-9-22(10-8-21)35-25(26,27)28)17-32(18)16-20-11-12-29-23(13-20)31-24(34)30-14-19-5-3-2-4-6-19/h2-13,15H,14,16-17H2,1H3,(H2,29,30,31,34)
• InChIKey: FRYDKNIYCHFKBH-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.49
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea?

The IUPAC name of 1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea (CID 141097717) is 1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea.

What is the SMILES notation for 1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea?

The canonical SMILES for 1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea is CC1=CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccnc(NC(=O)NCc2ccccc2)c1.

What is the InChIKey of 1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea?

The InChIKey is FRYDKNIYCHFKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-18-15-33(21-7-9-22(10-8-21)35-25(26,27)28)17-32(18)16-20-11-12-29-23(13-20)31-24(34)30-14-19-5-3-2-4-6-19/h2-13,15H,14,16-17H2,1H3,(H2,29,30,31,34).

What are the key properties of 1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea?

1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea has a molecular weight of 483.49 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea is sourced from PubChem (CID 141097717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).