1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one

C11H16N4O — CID 79251638

IUPAC1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one
SMILESCNc1ccnc(CN2CCN(C)C2=O)c1
InChIInChI=1S/C11H16N4O/c1-12-9-3-4-13-10(7-9)8-15-6-5-14(2)11(15)16/h3-4,7H,5-6,8H2,1-2H3,(H,12,13)
InChIKeyVAGKUUHSAIHDRD-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.99
Rot. Bonds3

About 1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one

1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one (PubChem CID 79251638) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one
PubChem CID79251638
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one
SMILESCNc1ccnc(CN2CCN(C)C2=O)c1
InChIInChI=1S/C11H16N4O/c1-12-9-3-4-13-10(7-9)8-15-6-5-14(2)11(15)16/h3-4,7H,5-6,8H2,1-2H3,(H,12,13)
InChIKeyVAGKUUHSAIHDRD-UHFFFAOYSA-N
XLogP0.99
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one (CID 79251638) is 1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one is CNc1ccnc(CN2CCN(C)C2=O)c1.
What is the InChIKey of 1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one?
The InChIKey is VAGKUUHSAIHDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-12-9-3-4-13-10(7-9)8-15-6-5-14(2)11(15)16/h3-4,7H,5-6,8H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one?
1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 79251638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).