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

C20H16ClN5O — CID 7080345

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

1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea (PubChem CID 7080345) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
• PubChem CID: 7080345
• Molecular Formula: C20H16ClN5O
• Molecular Weight: 377.84 g/mol
• Exact Mass: 377.10
• IUPAC Name: 1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
• SMILES: Cc1c(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)nc2ncccn12
• InChI: InChI=1S/C20H16ClN5O/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: BXDUHAZRIGSOJI-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 71.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.84
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea (CID 7080345) is 1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea.

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

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

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

The InChIKey is BXDUHAZRIGSOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/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-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea?

1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea has a molecular weight of 377.84 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea is sourced from PubChem (CID 7080345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).