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

C20H16FN5O — CID 121033214

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

1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea (PubChem CID 121033214) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
• PubChem CID: 121033214
• Molecular Formula: C20H16FN5O
• Molecular Weight: 361.38 g/mol
• Exact Mass: 361.13
• IUPAC Name: 1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
• SMILES: Cc1c(-c2cccc(NC(=O)Nc3cccc(F)c3)c2)nc2ncccn12
• InChI: InChI=1S/C20H16FN5O/c1-13-18(25-19-22-9-4-10-26(13)19)14-5-2-7-16(11-14)23-20(27)24-17-8-3-6-15(21)12-17/h2-12H,1H3,(H2,23,24,27)
• InChIKey: WFGMHGXUPLWKHN-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 71.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.38
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea (CID 121033214) is 1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea.

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

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

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

The InChIKey is WFGMHGXUPLWKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-13-18(25-19-22-9-4-10-26(13)19)14-5-2-7-16(11-14)23-20(27)24-17-8-3-6-15(21)12-17/h2-12H,1H3,(H2,23,24,27).

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

1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea has a molecular weight of 361.38 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea is sourced from PubChem (CID 121033214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).