1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea

C13H19F3N4O2 — CID 110929835

About 1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea

1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea (PubChem CID 110929835) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea.

Molecular Properties

• Compound Name: 1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea
• PubChem CID: 110929835
• Molecular Formula: C13H19F3N4O2
• Molecular Weight: 320.31 g/mol
• Exact Mass: 320.15
• IUPAC Name: 1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea
• SMILES: CC1CC1NC(=O)NCCC(O)(c1nccn1C)C(F)(F)F
• InChI: InChI=1S/C13H19F3N4O2/c1-8-7-9(8)19-11(21)18-4-3-12(22,13(14,15)16)10-17-5-6-20(10)2/h5-6,8-9,22H,3-4,7H2,1-2H3,(H2,18,19,21)
• InChIKey: ZXZRUAFOEPAQSE-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 79.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.31
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea?

The IUPAC name of 1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea (CID 110929835) is 1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea.

What is the SMILES notation for 1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea?

The canonical SMILES for 1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea is CC1CC1NC(=O)NCCC(O)(c1nccn1C)C(F)(F)F.

What is the InChIKey of 1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea?

The InChIKey is ZXZRUAFOEPAQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-8-7-9(8)19-11(21)18-4-3-12(22,13(14,15)16)10-17-5-6-20(10)2/h5-6,8-9,22H,3-4,7H2,1-2H3,(H2,18,19,21).

What are the key properties of 1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea?

1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea has a molecular weight of 320.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea is sourced from PubChem (CID 110929835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).