1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one

C22H23Cl2N3O2S — CID 90629864

IUPAC1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCSC(c2ccccc2Cl)CC1
InChIInChI=1S/C22H23Cl2N3O2S/c23-16-4-3-5-17(14-16)27-11-10-26(22(27)29)15-21(28)25-9-8-20(30-13-12-25)18-6-1-2-7-19(18)24/h1-7,14,20H,8-13,15H2
InChIKeyWOIGMRDDAUMFBP-UHFFFAOYSA-N
MW464.42 g/mol
LogP4.94
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one

1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one (PubChem CID 90629864) has the molecular formula C22H23Cl2N3O2S and a molecular weight of 464.42 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one
PubChem CID90629864
Molecular FormulaC22H23Cl2N3O2S
Molecular Weight464.42 g/mol
Exact Mass463.09
IUPAC Name1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCSC(c2ccccc2Cl)CC1
InChIInChI=1S/C22H23Cl2N3O2S/c23-16-4-3-5-17(14-16)27-11-10-26(22(27)29)15-21(28)25-9-8-20(30-13-12-25)18-6-1-2-7-19(18)24/h1-7,14,20H,8-13,15H2
InChIKeyWOIGMRDDAUMFBP-UHFFFAOYSA-N
XLogP4.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-[2-[7-(2,5-difluorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one
CID 90631873
7-(2-chlorophenyl)-N-(3-chlorophenyl)-1,4-thiazepane-4-carboxamide
CID 90629872
[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-(2,4-dichlorophenyl)methanone
CID 121163534
1-[2-[7-(2-chlorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-2-oxoethyl]-3-(3,4-difluorophenyl)imidazolidin-2-one
CID 121193075
1-[(7S)-7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-(2-fluorophenyl)ethanone
CID 99878582
1-adamantyl-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]methanone
CID 73169060
1-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-(2-methylphenoxy)ethanone
CID 90629758
1-(3-chlorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypyrrolidin-1-yl)ethyl]imidazolidin-2-one
CID 122243384
1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 122259541
1-(4-ethoxyphenyl)-3-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]imidazolidin-2-one
CID 90632956
1-[(7R)-7-(2-chlorophenyl)-1,4-thiazepane-4-carbonyl]imidazolidin-2-one
CID 99878706
1-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-propylpentan-1-one
CID 121163519

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one (CID 90629864) is 1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one is O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCSC(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one?
The InChIKey is WOIGMRDDAUMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2S/c23-16-4-3-5-17(14-16)27-11-10-26(22(27)29)15-21(28)25-9-8-20(30-13-12-25)18-6-1-2-7-19(18)24/h1-7,14,20H,8-13,15H2.
What are the key properties of 1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one has a molecular weight of 464.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 90629864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).