1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione

C18H18ClN3O3S — CID 9171494

IUPAC1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione
SMILESCCN(Cc1ccc(Cl)s1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H18ClN3O3S/c1-2-20(11-14-8-9-15(19)26-14)12-22-17(24)16(23)21(18(22)25)10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3
InChIKeyMUVJCXZKNKMGRG-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.17
Rot. Bonds7

About 1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione

1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione (PubChem CID 9171494) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione
PubChem CID9171494
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione
SMILESCCN(Cc1ccc(Cl)s1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H18ClN3O3S/c1-2-20(11-14-8-9-15(19)26-14)12-22-17(24)16(23)21(18(22)25)10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3
InChIKeyMUVJCXZKNKMGRG-UHFFFAOYSA-N
XLogP3.17
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione (CID 9171494) is 1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione is CCN(Cc1ccc(Cl)s1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione?
The InChIKey is MUVJCXZKNKMGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-2-20(11-14-8-9-15(19)26-14)12-22-17(24)16(23)21(18(22)25)10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3.
What are the key properties of 1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione?
1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione has a molecular weight of 391.88 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 9171494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).