1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea

C21H17F2N5O2 — CID 122285767

About 1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea

1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea (PubChem CID 122285767) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
• PubChem CID: 122285767
• Molecular Formula: C21H17F2N5O2
• Molecular Weight: 409.40 g/mol
• Exact Mass: 409.14
• IUPAC Name: 1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
• SMILES: Cc1c(-c2cccc(NC(=O)Nc3cccc(OC(F)F)c3)c2)nc2ncccn12
• InChI: InChI=1S/C21H17F2N5O2/c1-13-18(27-20-24-9-4-10-28(13)20)14-5-2-6-15(11-14)25-21(29)26-16-7-3-8-17(12-16)30-19(22)23/h2-12,19H,1H3,(H2,25,26,29)
• InChIKey: WGADCASEDHHFPM-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.40
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea?

The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea (CID 122285767) is 1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea.

What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea?

The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea is Cc1c(-c2cccc(NC(=O)Nc3cccc(OC(F)F)c3)c2)nc2ncccn12.

What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea?

The InChIKey is WGADCASEDHHFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-13-18(27-20-24-9-4-10-28(13)20)14-5-2-6-15(11-14)25-21(29)26-16-7-3-8-17(12-16)30-19(22)23/h2-12,19H,1H3,(H2,25,26,29).

What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea?

1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea has a molecular weight of 409.40 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea is sourced from PubChem (CID 122285767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).