3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C15H22N2OS — CID 83244089

IUPAC3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CC2CCCCC2)s1
InChIInChI=1S/C15H22N2OS/c1-11-7-8-13(19-11)15-16-9-14(18)17(15)10-12-5-3-2-4-6-12/h7-8,12,15-16H,2-6,9-10H2,1H3
InChIKeyIHFTWINHLKOCNV-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.07
Rot. Bonds3

About 3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one

3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83244089) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83244089
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CC2CCCCC2)s1
InChIInChI=1S/C15H22N2OS/c1-11-7-8-13(19-11)15-16-9-14(18)17(15)10-12-5-3-2-4-6-12/h7-8,12,15-16H,2-6,9-10H2,1H3
InChIKeyIHFTWINHLKOCNV-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one
CID 107299016
3-[(1-methylpiperidin-2-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83245106
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83255799
3-(2-cyclopentyloxyethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257504
3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83262823
3-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83243427
3-[(1-methylcyclopentyl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83258094
3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243272
3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83243977
3-(cyclopentylmethyl)-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244248
2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one
CID 83260835
3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83247562

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83244089) is 3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2CC2CCCCC2)s1.
What is the InChIKey of 3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is IHFTWINHLKOCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-7-8-13(19-11)15-16-9-14(18)17(15)10-12-5-3-2-4-6-12/h7-8,12,15-16H,2-6,9-10H2,1H3.
What are the key properties of 3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 278.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83244089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).