1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea

C₁₀H₁₆N₄O — CID 75397406

About 1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea

1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea (PubChem CID 75397406) has the molecular formula C₁₀H₁₆N₄O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea.

Molecular Properties

• Compound Name: 1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea
• PubChem CID: 75397406
• Molecular Formula: C₁₀H₁₆N₄O
• Molecular Weight: 208.26 g/mol
• Exact Mass: 208.13
• IUPAC Name: 1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea
• SMILES: C=CCNC(=O)N(C)Cc1nccn1C
• InChI: InChI=1S/C10H16N4O/c1-4-5-12-10(15)14(3)8-9-11-6-7-13(9)2/h4,6-7H,1,5,8H2,2-3H3,(H,12,15)
• InChIKey: ZHZKPJGEAWEHPV-UHFFFAOYSA-N
• XLogP: 0.75
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	208.26
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea?

The IUPAC name of 1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea (CID 75397406) is 1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea.

What is the SMILES notation for 1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea?

The canonical SMILES for 1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea is C=CCNC(=O)N(C)Cc1nccn1C.

What is the InChIKey of 1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea?

The InChIKey is ZHZKPJGEAWEHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-4-5-12-10(15)14(3)8-9-11-6-7-13(9)2/h4,6-7H,1,5,8H2,2-3H3,(H,12,15).

What are the key properties of 1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea?

1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea has a molecular weight of 208.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea is sourced from PubChem (CID 75397406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 75397406 — identifiers, structure, computed properties (public domain)

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