3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea

C15H24N4O — CID 122134309

IUPAC3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCN(Cc1nccn1C)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H24N4O/c1-18-11-10-16-14(18)12-19(2)15(20)17-9-8-13-6-4-3-5-7-13/h6,10-11H,3-5,7-9,12H2,1-2H3,(H,17,20)
InChIKeyNYJXZYNYSGHCTR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.45
Rot. Bonds5

About 3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea

3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 122134309) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID122134309
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCN(Cc1nccn1C)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H24N4O/c1-18-11-10-16-14(18)12-19(2)15(20)17-9-8-13-6-4-3-5-7-13/h6,10-11H,3-5,7-9,12H2,1-2H3,(H,17,20)
InChIKeyNYJXZYNYSGHCTR-UHFFFAOYSA-N
XLogP2.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.45
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 3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea (CID 122134309) is 3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea is CN(Cc1nccn1C)C(=O)NCCC1=CCCCC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is NYJXZYNYSGHCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-11-10-16-14(18)12-19(2)15(20)17-9-8-13-6-4-3-5-7-13/h6,10-11H,3-5,7-9,12H2,1-2H3,(H,17,20).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea?
3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 276.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 122134309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).