1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one

C14H19ClN4O2S — CID 9117444

IUPAC1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1CCN(Cc2ccc(Cl)s2)CC1)N1CCNC1=O
InChIInChI=1S/C14H19ClN4O2S/c15-12-2-1-11(22-12)9-17-5-7-18(8-6-17)10-13(20)19-4-3-16-14(19)21/h1-2H,3-10H2,(H,16,21)
InChIKeyUKZWXJOFUJYJSR-UHFFFAOYSA-N
MW342.85 g/mol
LogP1.07
Rot. Bonds4

About 1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one

1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one (PubChem CID 9117444) has the molecular formula C14H19ClN4O2S and a molecular weight of 342.85 g/mol. Its IUPAC name is 1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one
PubChem CID9117444
Molecular FormulaC14H19ClN4O2S
Molecular Weight342.85 g/mol
Exact Mass342.09
IUPAC Name1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1CCN(Cc2ccc(Cl)s2)CC1)N1CCNC1=O
InChIInChI=1S/C14H19ClN4O2S/c15-12-2-1-11(22-12)9-17-5-7-18(8-6-17)10-13(20)19-4-3-16-14(19)21/h1-2H,3-10H2,(H,16,21)
InChIKeyUKZWXJOFUJYJSR-UHFFFAOYSA-N
XLogP1.07
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one (CID 9117444) is 1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one is O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)N1CCNC1=O.
What is the InChIKey of 1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is UKZWXJOFUJYJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2S/c15-12-2-1-11(22-12)9-17-5-7-18(8-6-17)10-13(20)19-4-3-16-14(19)21/h1-2H,3-10H2,(H,16,21).
What are the key properties of 1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one?
1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 342.85 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9117444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).