1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea

C20H20FN5O2 — CID 166531972

About 1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea

1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea (PubChem CID 166531972) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea.

Molecular Properties

• Compound Name: 1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea
• PubChem CID: 166531972
• Molecular Formula: C20H20FN5O2
• Molecular Weight: 381.41 g/mol
• Exact Mass: 381.16
• IUPAC Name: 1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea
• SMILES: Cc1c([C@@H](NC(=O)Nc2cnc3nccn3c2)C(C)C)oc2ccc(F)cc12
• InChI: InChI=1S/C20H20FN5O2/c1-11(2)17(18-12(3)15-8-13(21)4-5-16(15)28-18)25-20(27)24-14-9-23-19-22-6-7-26(19)10-14/h4-11,17H,1-3H3,(H2,24,25,27)/t17-/m0/s1
• InChIKey: RDRBEVCUVVPJKI-KRWDZBQOSA-N
• XLogP: 4.44
• TPSA: 84.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.41
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea?

The IUPAC name of 1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea (CID 166531972) is 1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea.

What is the SMILES notation for 1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea?

The canonical SMILES for 1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea is Cc1c([C@@H](NC(=O)Nc2cnc3nccn3c2)C(C)C)oc2ccc(F)cc12.

What is the InChIKey of 1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea?

The InChIKey is RDRBEVCUVVPJKI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-11(2)17(18-12(3)15-8-13(21)4-5-16(15)28-18)25-20(27)24-14-9-23-19-22-6-7-26(19)10-14/h4-11,17H,1-3H3,(H2,24,25,27)/t17-/m0/s1.

What are the key properties of 1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea?

1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea has a molecular weight of 381.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-imidazo[1,2-a]pyrimidin-6-ylurea is sourced from PubChem (CID 166531972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).