1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one

C17H20N2OS — CID 10424894

IUPAC1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one
SMILESO=C1NCCN1C1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C17H20N2OS/c20-16-18-10-11-19(16)17(8-4-1-5-9-17)15-12-13-6-2-3-7-14(13)21-15/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,20)
InChIKeyTXGVKKIDVAHEDJ-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.09
Rot. Bonds2

About 1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one

1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one (PubChem CID 10424894) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one
PubChem CID10424894
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one
SMILESO=C1NCCN1C1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C17H20N2OS/c20-16-18-10-11-19(16)17(8-4-1-5-9-17)15-12-13-6-2-3-7-14(13)21-15/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,20)
InChIKeyTXGVKKIDVAHEDJ-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one (CID 10424894) is 1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one is O=C1NCCN1C1(c2cc3ccccc3s2)CCCCC1.
What is the InChIKey of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one?
The InChIKey is TXGVKKIDVAHEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-16-18-10-11-19(16)17(8-4-1-5-9-17)15-12-13-6-2-3-7-14(13)21-15/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,20).
What are the key properties of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one?
1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one has a molecular weight of 300.43 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one is sourced from PubChem (CID 10424894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).