5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole

C25H35F3N6 — CID 162597595

About 5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole

5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole (PubChem CID 162597595) has the molecular formula C25H35F3N6 and a molecular weight of 476.59 g/mol. Its IUPAC name is 5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole.

Molecular Properties

• Compound Name: 5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole
• PubChem CID: 162597595
• Molecular Formula: C25H35F3N6
• Molecular Weight: 476.59 g/mol
• Exact Mass: 476.29
• IUPAC Name: 5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole
• SMILES: Cc1cnn(CC(F)(F)F)c1CCC(C)Cn1cnc(C)c1CC1CC1Cn1cnc(C)c1C
• InChI: InChI=1S/C25H35F3N6/c1-16(6-7-23-17(2)10-31-34(23)13-25(26,27)28)11-33-15-30-19(4)24(33)9-21-8-22(21)12-32-14-29-18(3)20(32)5/h10,14-16,21-22H,6-9,11-13H2,1-5H3
• InChIKey: SLACLSMOFLPREJ-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.59
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole?

The IUPAC name of 5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole (CID 162597595) is 5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole.

What is the SMILES notation for 5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole?

The canonical SMILES for 5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole is Cc1cnn(CC(F)(F)F)c1CCC(C)Cn1cnc(C)c1CC1CC1Cn1cnc(C)c1C.

What is the InChIKey of 5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole?

The InChIKey is SLACLSMOFLPREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F3N6/c1-16(6-7-23-17(2)10-31-34(23)13-25(26,27)28)11-33-15-30-19(4)24(33)9-21-8-22(21)12-32-14-29-18(3)20(32)5/h10,14-16,21-22H,6-9,11-13H2,1-5H3.

What are the key properties of 5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole?

5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole has a molecular weight of 476.59 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[(4,5-dimethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1-[2-methyl-4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]butyl]imidazole is sourced from PubChem (CID 162597595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).