1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea

C32H30F3N7O2 — CID 131991964

About 1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea

1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea (PubChem CID 131991964) has the molecular formula C32H30F3N7O2 and a molecular weight of 601.63 g/mol. Its IUPAC name is 1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea.

Molecular Properties

• Compound Name: 1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea
• PubChem CID: 131991964
• Molecular Formula: C32H30F3N7O2
• Molecular Weight: 601.63 g/mol
• Exact Mass: 601.24
• IUPAC Name: 1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea
• SMILES: Cc1cc(C)c(-n2c(C)cnc2NC(=O)NC2CC2c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C)c1
• InChI: InChI=1S/C32H30F3N7O2/c1-18-13-19(2)28(20(3)14-18)42-21(4)16-36-30(42)39-31(43)38-27-15-26(27)22-5-7-23(8-6-22)29-37-17-41(40-29)24-9-11-25(12-10-24)44-32(33,34)35/h5-14,16-17,26-27H,15H2,1-4H3,(H2,36,38,39,43)
• InChIKey: VISAGVHKJFEKSY-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 98.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.63
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea?

The IUPAC name of 1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea (CID 131991964) is 1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea.

What is the SMILES notation for 1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea?

The canonical SMILES for 1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea is Cc1cc(C)c(-n2c(C)cnc2NC(=O)NC2CC2c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C)c1.

What is the InChIKey of 1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea?

The InChIKey is VISAGVHKJFEKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N7O2/c1-18-13-19(2)28(20(3)14-18)42-21(4)16-36-30(42)39-31(43)38-27-15-26(27)22-5-7-23(8-6-22)29-37-17-41(40-29)24-9-11-25(12-10-24)44-32(33,34)35/h5-14,16-17,26-27H,15H2,1-4H3,(H2,36,38,39,43).

What are the key properties of 1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea?

1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea has a molecular weight of 601.63 g/mol, XLogP of 6.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-methyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]cyclopropyl]urea is sourced from PubChem (CID 131991964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).