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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Related Compounds

2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 5217360
2-(3-Benzyl-2-oxoimidazolidin-1-YL)-N-[(thiophen-2-YL)methyl]acetamide
CID 4522322
2-[3-(2-chloro-4-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(thien-2-ylmethyl)acetamide
CID 16193697
(5E)-3-benzyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 6292742
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(thien-2-ylmethyl)acetamide
CID 16193717
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925838
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 9393702
N-(benzylcarbamoyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 17516982
1-[(4-Chlorophenyl)methyl]-8-(thiophen-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 134793794
2-[3-(3-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(thien-2-ylmethyl)acetamide
CID 16002562
2-[acetyl(2-pyrrolidin-1-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4233997
2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 26510422

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).