1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea

C30H28F3N7O4 — CID 126681277

About 1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea

1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea (PubChem CID 126681277) has the molecular formula C30H28F3N7O4 and a molecular weight of 607.59 g/mol. Its IUPAC name is 1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea.

Molecular Properties

• Compound Name: 1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea
• PubChem CID: 126681277
• Molecular Formula: C30H28F3N7O4
• Molecular Weight: 607.59 g/mol
• Exact Mass: 607.22
• IUPAC Name: 1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea
• SMILES: COc1ccc(N2C(=O)CN=C2NC(=O)NC(C)Cc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C)c1
• InChI: InChI=1S/C30H28F3N7O4/c1-18-14-24(43-3)12-13-25(18)40-26(41)16-34-28(40)37-29(42)36-19(2)15-20-4-6-21(7-5-20)27-35-17-39(38-27)22-8-10-23(11-9-22)44-30(31,32)33/h4-14,17,19H,15-16H2,1-3H3,(H2,34,36,37,42)
• InChIKey: KDURQDUVVWTZQO-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 122.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.59
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea?

The IUPAC name of 1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea (CID 126681277) is 1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea.

What is the SMILES notation for 1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea?

The canonical SMILES for 1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea is COc1ccc(N2C(=O)CN=C2NC(=O)NC(C)Cc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C)c1.

What is the InChIKey of 1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea?

The InChIKey is KDURQDUVVWTZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N7O4/c1-18-14-24(43-3)12-13-25(18)40-26(41)16-34-28(40)37-29(42)36-19(2)15-20-4-6-21(7-5-20)27-35-17-39(38-27)22-8-10-23(11-9-22)44-30(31,32)33/h4-14,17,19H,15-16H2,1-3H3,(H2,34,36,37,42).

What are the key properties of 1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea?

1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea has a molecular weight of 607.59 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-methoxy-2-methylphenyl)-5-oxo-4H-imidazol-2-yl]-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea is sourced from PubChem (CID 126681277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).