2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one

C17H24N2OS — CID 83267441

IUPAC2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one
SMILESCC12CCC(C1)C(C)(C)C2N1C(=O)CNC1c1cccs1
InChIInChI=1S/C17H24N2OS/c1-16(2)11-6-7-17(3,9-11)15(16)19-13(20)10-18-14(19)12-5-4-8-21-12/h4-5,8,11,14-15,18H,6-7,9-10H2,1-3H3
InChIKeyCORUOKMGYLYROM-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.39
Rot. Bonds2

About 2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one

2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one (PubChem CID 83267441) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one
PubChem CID83267441
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one
SMILESCC12CCC(C1)C(C)(C)C2N1C(=O)CNC1c1cccs1
InChIInChI=1S/C17H24N2OS/c1-16(2)11-6-7-17(3,9-11)15(16)19-13(20)10-18-14(19)12-5-4-8-21-12/h4-5,8,11,14-15,18H,6-7,9-10H2,1-3H3
InChIKeyCORUOKMGYLYROM-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one?
The IUPAC name of 2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one (CID 83267441) is 2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one.
What is the SMILES notation for 2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one?
The canonical SMILES for 2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one is CC12CCC(C1)C(C)(C)C2N1C(=O)CNC1c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one?
The InChIKey is CORUOKMGYLYROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-16(2)11-6-7-17(3,9-11)15(16)19-13(20)10-18-14(19)12-5-4-8-21-12/h4-5,8,11,14-15,18H,6-7,9-10H2,1-3H3.
What are the key properties of 2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one?
2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one has a molecular weight of 304.46 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one is sourced from PubChem (CID 83267441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).