3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one

C16H24N2OS — CID 83254067

IUPAC3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1CCC(CN2C(=O)CNC2c2ccsc2)CC1
InChIInChI=1S/C16H24N2OS/c1-2-12-3-5-13(6-4-12)10-18-15(19)9-17-16(18)14-7-8-20-11-14/h7-8,11-13,16-17H,2-6,9-10H2,1H3
InChIKeyZBMXUVVKYXDZBR-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.39
Rot. Bonds4

About 3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one

3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83254067) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83254067
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1CCC(CN2C(=O)CNC2c2ccsc2)CC1
InChIInChI=1S/C16H24N2OS/c1-2-12-3-5-13(6-4-12)10-18-15(19)9-17-16(18)14-7-8-20-11-14/h7-8,11-13,16-17H,2-6,9-10H2,1H3
InChIKeyZBMXUVVKYXDZBR-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249330
3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795
3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83256663
3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83238001
3-(cyclopropylmethyl)-2-(4-ethylphenyl)imidazolidin-4-one
CID 83251072
3-(cyclopropylmethyl)-2-phenylimidazolidin-4-one
CID 83250909
3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 102702005
3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83247903
3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83264612
2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83254696
3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255014
3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83251666

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one (CID 83254067) is 3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one is CCC1CCC(CN2C(=O)CNC2c2ccsc2)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is ZBMXUVVKYXDZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-12-3-5-13(6-4-12)10-18-15(19)9-17-16(18)14-7-8-20-11-14/h7-8,11-13,16-17H,2-6,9-10H2,1H3.
What are the key properties of 3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 292.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83254067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).