ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one

C11H17N3O — CID 143177122

IUPACethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one
SMILESCC.CN1CC(c2ccncc2)NC1=O
InChIInChI=1S/C9H11N3O.C2H6/c1-12-6-8(11-9(12)13)7-2-4-10-5-3-7;1-2/h2-5,8H,6H2,1H3,(H,11,13);1-2H3
InChIKeyPQZCVJWSWCUXAZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.80
Rot. Bonds1

About ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one

ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one (PubChem CID 143177122) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Nameethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one
PubChem CID143177122
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Nameethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one
SMILESCC.CN1CC(c2ccncc2)NC1=O
InChIInChI=1S/C9H11N3O.C2H6/c1-12-6-8(11-9(12)13)7-2-4-10-5-3-7;1-2/h2-5,8H,6H2,1H3,(H,11,13);1-2H3
InChIKeyPQZCVJWSWCUXAZ-UHFFFAOYSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-pyridin-4-ylimidazolidin-2-one
CID 90179114
1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one
CID 116979916
1-[4-(methylamino)phenyl]-4-pyridin-4-ylimidazolidin-2-one
CID 116979275
1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one
CID 116980895
4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one
CID 116980818
4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one
CID 24973439
5-(1-methyl-2-oxoimidazolidin-4-yl)-1H-pyridazin-6-one
CID 173086729
5-pyridin-4-ylpyrrolidin-2-one
CID 130009175
4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one
CID 116980815
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
1-(piperidin-2-ylmethyl)-4-pyridin-4-ylimidazolidin-2-one
CID 116979146
2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one
CID 116980876

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one (CID 143177122) is ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one is CC.CN1CC(c2ccncc2)NC1=O.
What is the InChIKey of ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one?
The InChIKey is PQZCVJWSWCUXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.C2H6/c1-12-6-8(11-9(12)13)7-2-4-10-5-3-7;1-2/h2-5,8H,6H2,1H3,(H,11,13);1-2H3.
What are the key properties of ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one?
ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 143177122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).