1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one

C10H15N5O — CID 138389445

IUPAC1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1cncn1CC
InChIInChI=1S/C10H15N5O/c1-3-14-6-12-5-7(14)8-9(11)13-10(16)15(8)4-2/h5-6,8H,3-4H2,1-2H3,(H2,11,13,16)
InChIKeyKYCSYGNUCSODPY-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.97
Rot. Bonds3

About 1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one

1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one (PubChem CID 138389445) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one
PubChem CID138389445
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1cncn1CC
InChIInChI=1S/C10H15N5O/c1-3-14-6-12-5-7(14)8-9(11)13-10(16)15(8)4-2/h5-6,8H,3-4H2,1-2H3,(H2,11,13,16)
InChIKeyKYCSYGNUCSODPY-UHFFFAOYSA-N
XLogP0.97
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one?
The IUPAC name of 1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one (CID 138389445) is 1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one?
The canonical SMILES for 1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1c1cncn1CC.
What is the InChIKey of 1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one?
The InChIKey is KYCSYGNUCSODPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-14-6-12-5-7(14)8-9(11)13-10(16)15(8)4-2/h5-6,8H,3-4H2,1-2H3,(H2,11,13,16).
What are the key properties of 1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one?
1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one is sourced from PubChem (CID 138389445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).