1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one

C10H16N4O — CID 116621700

IUPAC1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one
SMILESCc1ncn(CCN2CCNC2=O)c1C
InChIInChI=1S/C10H16N4O/c1-8-9(2)14(7-12-8)6-5-13-4-3-11-10(13)15/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyRFVHNYQZMUVGGG-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.53
Rot. Bonds3

About 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one

1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one (PubChem CID 116621700) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one
PubChem CID116621700
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one
SMILESCc1ncn(CCN2CCNC2=O)c1C
InChIInChI=1S/C10H16N4O/c1-8-9(2)14(7-12-8)6-5-13-4-3-11-10(13)15/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyRFVHNYQZMUVGGG-UHFFFAOYSA-N
XLogP0.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one (CID 116621700) is 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one is Cc1ncn(CCN2CCNC2=O)c1C.
What is the InChIKey of 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is RFVHNYQZMUVGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-9(2)14(7-12-8)6-5-13-4-3-11-10(13)15/h7H,3-6H2,1-2H3,(H,11,15).
What are the key properties of 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one?
1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethylimidazol-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 116621700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).