1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

C14H22N6O — CID 119067480

About 1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (PubChem CID 119067480) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
• PubChem CID: 119067480
• Molecular Formula: C14H22N6O
• Molecular Weight: 290.37 g/mol
• Exact Mass: 290.19
• IUPAC Name: 1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
• SMILES: Cc1nn(C)c(C)c1CN(C)C(=O)NCc1nccn1C
• InChI: InChI=1S/C14H22N6O/c1-10-12(11(2)20(5)17-10)9-19(4)14(21)16-8-13-15-6-7-18(13)3/h6-7H,8-9H2,1-5H3,(H,16,21)
• InChIKey: LYFAVGQDOJRNRR-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 67.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.37
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?

The IUPAC name of 1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (CID 119067480) is 1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.

What is the SMILES notation for 1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?

The canonical SMILES for 1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is Cc1nn(C)c(C)c1CN(C)C(=O)NCc1nccn1C.

What is the InChIKey of 1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?

The InChIKey is LYFAVGQDOJRNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-10-12(11(2)20(5)17-10)9-19(4)14(21)16-8-13-15-6-7-18(13)3/h6-7H,8-9H2,1-5H3,(H,16,21).

What are the key properties of 1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?

1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea has a molecular weight of 290.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 119067480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).