1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one

C8H9ClN2OS — CID 131091967

IUPAC1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1ccsc1Cl
InChIInChI=1S/C8H9ClN2OS/c9-7-6(1-4-13-7)5-11-3-2-10-8(11)12/h1,4H,2-3,5H2,(H,10,12)
InChIKeyVRIKZQWZYDNLBD-UHFFFAOYSA-N
MW216.69 g/mol
LogP1.93
Rot. Bonds2

About 1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one

1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one (PubChem CID 131091967) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is 1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one
PubChem CID131091967
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1ccsc1Cl
InChIInChI=1S/C8H9ClN2OS/c9-7-6(1-4-13-7)5-11-3-2-10-8(11)12/h1,4H,2-3,5H2,(H,10,12)
InChIKeyVRIKZQWZYDNLBD-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one (CID 131091967) is 1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one is O=C1NCCN1Cc1ccsc1Cl.
What is the InChIKey of 1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one?
The InChIKey is VRIKZQWZYDNLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c9-7-6(1-4-13-7)5-11-3-2-10-8(11)12/h1,4H,2-3,5H2,(H,10,12).
What are the key properties of 1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one?
1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one has a molecular weight of 216.69 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 131091967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).