1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one

C11H14ClN3O2S — CID 39748232

IUPAC1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
SMILESCN(CC(=O)N1CCNC1=O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O2S/c1-14(6-8-2-3-9(12)18-8)7-10(16)15-5-4-13-11(15)17/h2-3H,4-7H2,1H3,(H,13,17)
InChIKeySKYWKFKGKYGCCV-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.39
Rot. Bonds4

About 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one

1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one (PubChem CID 39748232) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
PubChem CID39748232
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
SMILESCN(CC(=O)N1CCNC1=O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O2S/c1-14(6-8-2-3-9(12)18-8)7-10(16)15-5-4-13-11(15)17/h2-3H,4-7H2,1H3,(H,13,17)
InChIKeySKYWKFKGKYGCCV-UHFFFAOYSA-N
XLogP1.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one
CID 56809947
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
1-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 9261496
1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 8909124
1-[2-[methyl-[(2-phenylphenyl)methyl]amino]acetyl]imidazolidin-2-one
CID 51107186
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 166390652
N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
CID 61438456
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-oxobutanenitrile
CID 117038458
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
CID 61439635
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
CID 8849744

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one (CID 39748232) is 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one is CN(CC(=O)N1CCNC1=O)Cc1ccc(Cl)s1.
What is the InChIKey of 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one?
The InChIKey is SKYWKFKGKYGCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-14(6-8-2-3-9(12)18-8)7-10(16)15-5-4-13-11(15)17/h2-3H,4-7H2,1H3,(H,13,17).
What are the key properties of 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one?
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one has a molecular weight of 287.77 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 39748232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).