1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one

C9H16N4O — CID 174928111

IUPAC1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one
SMILESCCN1C=CN(C)C1N1CCNC1=O
InChIInChI=1S/C9H16N4O/c1-3-12-7-6-11(2)9(12)13-5-4-10-8(13)14/h6-7,9H,3-5H2,1-2H3,(H,10,14)
InChIKeyYIOZATKVZROQCD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.03
Rot. Bonds2

About 1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one

1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one (PubChem CID 174928111) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one
PubChem CID174928111
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one
SMILESCCN1C=CN(C)C1N1CCNC1=O
InChIInChI=1S/C9H16N4O/c1-3-12-7-6-11(2)9(12)13-5-4-10-8(13)14/h6-7,9H,3-5H2,1-2H3,(H,10,14)
InChIKeyYIOZATKVZROQCD-UHFFFAOYSA-N
XLogP0.03
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one (CID 174928111) is 1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one is CCN1C=CN(C)C1N1CCNC1=O.
What is the InChIKey of 1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one?
The InChIKey is YIOZATKVZROQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-12-7-6-11(2)9(12)13-5-4-10-8(13)14/h6-7,9H,3-5H2,1-2H3,(H,10,14).
What are the key properties of 1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one?
1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methyl-2H-imidazol-2-yl)imidazolidin-2-one is sourced from PubChem (CID 174928111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).