1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one

C13H22N4O2 — CID 131702227

IUPAC1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C13H22N4O2/c18-12-14-5-8-17(12)13(19)16-7-2-6-15(9-10-16)11-3-1-4-11/h11H,1-10H2,(H,14,18)
InChIKeyFFZVJYQYFIPPHP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.69
Rot. Bonds1

About 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one

1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one (PubChem CID 131702227) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one
PubChem CID131702227
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C13H22N4O2/c18-12-14-5-8-17(12)13(19)16-7-2-6-15(9-10-16)11-3-1-4-11/h11H,1-10H2,(H,14,18)
InChIKeyFFZVJYQYFIPPHP-UHFFFAOYSA-N
XLogP0.69
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one (CID 131702227) is 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one is O=C1NCCN1C(=O)N1CCCN(C2CCC2)CC1.
What is the InChIKey of 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one?
The InChIKey is FFZVJYQYFIPPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c18-12-14-5-8-17(12)13(19)16-7-2-6-15(9-10-16)11-3-1-4-11/h11H,1-10H2,(H,14,18).
What are the key properties of 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one?
1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 131702227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).