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

C26H26FN3O3S — CID 58031680

IUPAC1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1nc(N2CCN(CC(=O)CCc3ccc(F)cc3)C2=O)sc1C(=O)CCc1ccccc1
InChIInChI=1S/C26H26FN3O3S/c1-18-24(23(32)14-10-19-5-3-2-4-6-19)34-25(28-18)30-16-15-29(26(30)33)17-22(31)13-9-20-7-11-21(27)12-8-20/h2-8,11-12H,9-10,13-17H2,1H3
InChIKeyBCQDZEANLCMZDZ-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.85
Rot. Bonds10

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

1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 58031680) has the molecular formula C26H26FN3O3S and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID58031680
Molecular FormulaC26H26FN3O3S
Molecular Weight479.58 g/mol
Exact Mass479.17
IUPAC Name1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1nc(N2CCN(CC(=O)CCc3ccc(F)cc3)C2=O)sc1C(=O)CCc1ccccc1
InChIInChI=1S/C26H26FN3O3S/c1-18-24(23(32)14-10-19-5-3-2-4-6-19)34-25(28-18)30-16-15-29(26(30)33)17-22(31)13-9-20-7-11-21(27)12-8-20/h2-8,11-12H,9-10,13-17H2,1H3
InChIKeyBCQDZEANLCMZDZ-UHFFFAOYSA-N
XLogP4.85
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate
CID 58031592
1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031607
3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid
CID 58031535
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-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051134
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one (CID 58031680) is 1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one is Cc1nc(N2CCN(CC(=O)CCc3ccc(F)cc3)C2=O)sc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is BCQDZEANLCMZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3S/c1-18-24(23(32)14-10-19-5-3-2-4-6-19)34-25(28-18)30-16-15-29(26(30)33)17-22(31)13-9-20-7-11-21(27)12-8-20/h2-8,11-12H,9-10,13-17H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 479.58 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 58031680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).