1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one

C23H23N3O2S — CID 58031677

IUPAC1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one
SMILESCc1cc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)CCc1cccnc1
InChIInChI=1S/C23H23N3O2S/c1-17-14-21(29-22(17)20(27)10-9-18-8-5-11-24-15-18)26-13-12-25(23(26)28)16-19-6-3-2-4-7-19/h2-8,11,14-15H,9-10,12-13,16H2,1H3
InChIKeyYEURXWKXLDASTN-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.71
Rot. Bonds7

About 1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one

1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one (PubChem CID 58031677) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one
PubChem CID58031677
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one
SMILESCc1cc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)CCc1cccnc1
InChIInChI=1S/C23H23N3O2S/c1-17-14-21(29-22(17)20(27)10-9-18-8-5-11-24-15-18)26-13-12-25(23(26)28)16-19-6-3-2-4-7-19/h2-8,11,14-15H,9-10,12-13,16H2,1H3
InChIKeyYEURXWKXLDASTN-UHFFFAOYSA-N
XLogP4.71
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-(3-phenylpropyl)imidazolidin-2-one
CID 58031631
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031474
1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(3-methylimidazol-4-yl)propanoyl]thiophen-2-yl]imidazolidin-2-one
CID 58031413
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031711
1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051068
1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
CID 58051090
1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 58031490
3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid
CID 58031535
1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031607
1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 58031436
5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 59481182
N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide
CID 59481214

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one?
The IUPAC name of 1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one (CID 58031677) is 1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one is Cc1cc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)CCc1cccnc1.
What is the InChIKey of 1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one?
The InChIKey is YEURXWKXLDASTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-17-14-21(29-22(17)20(27)10-9-18-8-5-11-24-15-18)26-13-12-25(23(26)28)16-19-6-3-2-4-7-19/h2-8,11,14-15H,9-10,12-13,16H2,1H3.
What are the key properties of 1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one?
1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one has a molecular weight of 405.52 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one is sourced from PubChem (CID 58031677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).