1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one

C24H25N3O2S — CID 58031607

IUPAC1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1ccccc1CN1CCN(c2nc(C)c(C(=O)CCc3ccccc3)s2)C1=O
InChIInChI=1S/C24H25N3O2S/c1-17-8-6-7-11-20(17)16-26-14-15-27(24(26)29)23-25-18(2)22(30-23)21(28)13-12-19-9-4-3-5-10-19/h3-11H,12-16H2,1-2H3
InChIKeyXKBKIVRPLIFONN-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.02
Rot. Bonds7

About 1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one

1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 58031607) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID58031607
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1ccccc1CN1CCN(c2nc(C)c(C(=O)CCc3ccccc3)s2)C1=O
InChIInChI=1S/C24H25N3O2S/c1-17-8-6-7-11-20(17)16-26-14-15-27(24(26)29)23-25-18(2)22(30-23)21(28)13-12-19-9-4-3-5-10-19/h3-11H,12-16H2,1-2H3
InChIKeyXKBKIVRPLIFONN-UHFFFAOYSA-N
XLogP5.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid
CID 58031535
ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate
CID 58031592
1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031680
4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 59481204
1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-(3-phenylpropyl)imidazolidin-2-one
CID 58031631
1-[2-(1H-indol-3-yl)ethyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031411
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
ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 58031520
1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051068
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031711
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-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051133

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one (CID 58031607) is 1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one is Cc1ccccc1CN1CCN(c2nc(C)c(C(=O)CCc3ccccc3)s2)C1=O.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is XKBKIVRPLIFONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-17-8-6-7-11-20(17)16-26-14-15-27(24(26)29)23-25-18(2)22(30-23)21(28)13-12-19-9-4-3-5-10-19/h3-11H,12-16H2,1-2H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 419.55 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 58031607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).