(5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

C18H20ClN3O2S — CID 9171792

IUPAC(5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CN(C)Cc3ccc(Cl)s3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C18H20ClN3O2S/c1-12-4-6-14(7-5-12)22-13(2)17(23)21(18(22)24)11-20(3)10-15-8-9-16(19)25-15/h4-9,13H,10-11H2,1-3H3/t13-/m0/s1
InChIKeySEIYACCKFVRRDP-ZDUSSCGKSA-N
MW377.90 g/mol
LogP3.96
Rot. Bonds5

About (5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

(5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 9171792) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is (5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID9171792
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name(5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CN(C)Cc3ccc(Cl)s3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C18H20ClN3O2S/c1-12-4-6-14(7-5-12)22-13(2)17(23)21(18(22)24)11-20(3)10-15-8-9-16(19)25-15/h4-9,13H,10-11H2,1-3H3/t13-/m0/s1
InChIKeySEIYACCKFVRRDP-ZDUSSCGKSA-N
XLogP3.96
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(3aR,7aS)-2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9171902
(5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9285693
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]isoindole-1,3-dione
CID 8787066
(5R)-3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9281583
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9360457
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9120435
N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51639717
(5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 8891877
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 2455847
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 18074159
N'-[(5-chlorothiophen-2-yl)methyl]-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618933
1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione
CID 9171860

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 9171792) is (5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(CN(C)Cc3ccc(Cl)s3)C(=O)[C@@H]2C)cc1.
What is the InChIKey of (5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is SEIYACCKFVRRDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-12-4-6-14(7-5-12)22-13(2)17(23)21(18(22)24)11-20(3)10-15-8-9-16(19)25-15/h4-9,13H,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
(5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 377.90 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9171792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).