1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one

C21H21Cl2N5O2S — CID 58051025

IUPAC1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1nc(N2CCN(Cc3cc(Cl)cc(Cl)c3)C2=O)sc1C(=O)CCc1cnn(C)c1
InChIInChI=1S/C21H21Cl2N5O2S/c1-13-19(18(29)4-3-14-10-24-26(2)11-14)31-20(25-13)28-6-5-27(21(28)30)12-15-7-16(22)9-17(23)8-15/h7-11H,3-6,12H2,1-2H3
InChIKeyGVQSCOFDLLDUHP-UHFFFAOYSA-N
MW478.41 g/mol
LogP4.75
Rot. Bonds7

About 1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one

1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 58051025) has the molecular formula C21H21Cl2N5O2S and a molecular weight of 478.41 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID58051025
Molecular FormulaC21H21Cl2N5O2S
Molecular Weight478.41 g/mol
Exact Mass477.08
IUPAC Name1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1nc(N2CCN(Cc3cc(Cl)cc(Cl)c3)C2=O)sc1C(=O)CCc1cnn(C)c1
InChIInChI=1S/C21H21Cl2N5O2S/c1-13-19(18(29)4-3-14-10-24-26(2)11-14)31-20(25-13)28-6-5-27(21(28)30)12-15-7-16(22)9-17(23)8-15/h7-11H,3-6,12H2,1-2H3
InChIKeyGVQSCOFDLLDUHP-UHFFFAOYSA-N
XLogP4.75
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 59481197
3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid
CID 58031535
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031711
1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051133
1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-(3-phenylpropyl)imidazolidin-2-one
CID 58031631
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
4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 59481204
1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051095
1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one
CID 58031677
1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 107967873
1-[2-(1H-indol-3-yl)ethyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031411
1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 58031436

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one (CID 58051025) is 1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one is Cc1nc(N2CCN(Cc3cc(Cl)cc(Cl)c3)C2=O)sc1C(=O)CCc1cnn(C)c1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is GVQSCOFDLLDUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2S/c1-13-19(18(29)4-3-14-10-24-26(2)11-14)31-20(25-13)28-6-5-27(21(28)30)12-15-7-16(22)9-17(23)8-15/h7-11H,3-6,12H2,1-2H3.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 478.41 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 58051025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).