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

C10H16N4O — CID 75397406

IUPAC1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N(C)Cc1nccn1C
InChIInChI=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)
InChIKeyZHZKPJGEAWEHPV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.75
Rot. Bonds4

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 Name1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea
PubChem CID75397406
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N(C)Cc1nccn1C
InChIInChI=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)
InChIKeyZHZKPJGEAWEHPV-UHFFFAOYSA-N
XLogP0.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).