1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one

C₁₅H₁₄ClN₅O — CID 658566

About 1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one

1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one (PubChem CID 658566) has the molecular formula C₁₅H₁₄ClN₅O and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
• PubChem CID: 658566
• Molecular Formula: C₁₅H₁₄ClN₅O
• Molecular Weight: 315.76 g/mol
• Exact Mass: 315.09
• IUPAC Name: 1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
• SMILES: Cc1cc(C)nc(NC2=NCC(=O)N2c2cccc(Cl)c2)n1
• InChI: InChI=1S/C15H14ClN5O/c1-9-6-10(2)19-14(18-9)20-15-17-8-13(22)21(15)12-5-3-4-11(16)7-12/h3-7H,8H2,1-2H3,(H,17,18,19,20)
• InChIKey: WQMGDQKALAGTMT-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 70.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.76
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?

The IUPAC name of 1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one (CID 658566) is 1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one.

What is the SMILES notation for 1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?

The canonical SMILES for 1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one is Cc1cc(C)nc(NC2=NCC(=O)N2c2cccc(Cl)c2)n1.

What is the InChIKey of 1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?

The InChIKey is WQMGDQKALAGTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-9-6-10(2)19-14(18-9)20-15-17-8-13(22)21(15)12-5-3-4-11(16)7-12/h3-7H,8H2,1-2H3,(H,17,18,19,20).

What are the key properties of 1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?

1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one has a molecular weight of 315.76 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one is sourced from PubChem (CID 658566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 658566 — identifiers, structure, computed properties (public domain)

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