3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C17H26N2OS — CID 83262823

IUPAC3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CCC2CCC(C)CC2)s1
InChIInChI=1S/C17H26N2OS/c1-12-3-6-14(7-4-12)9-10-19-16(20)11-18-17(19)15-8-5-13(2)21-15/h5,8,12,14,17-18H,3-4,6-7,9-11H2,1-2H3
InChIKeyMNOOKNYJIKQUSF-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.70
Rot. Bonds4

About 3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one

3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83262823) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83262823
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CCC2CCC(C)CC2)s1
InChIInChI=1S/C17H26N2OS/c1-12-3-6-14(7-4-12)9-10-19-16(20)11-18-17(19)15-8-5-13(2)21-15/h5,8,12,14,17-18H,3-4,6-7,9-11H2,1-2H3
InChIKeyMNOOKNYJIKQUSF-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
CID 83264924
2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one
CID 83260835
3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244089
3-(2-cyclopentyloxyethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257504
3-(3-methylsulfonylpropyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83246858
2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one
CID 107299016
3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 106053056
3-[(1-methylpiperidin-2-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83245106
3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83247467
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83255799
3-[(1-methylcyclopentyl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83258094
3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
CID 114517080

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83262823) is 3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2CCC2CCC(C)CC2)s1.
What is the InChIKey of 3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is MNOOKNYJIKQUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-12-3-6-14(7-4-12)9-10-19-16(20)11-18-17(19)15-8-5-13(2)21-15/h5,8,12,14,17-18H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 306.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83262823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).