5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one

C16H30N2O — CID 83259175

IUPAC5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(C2CCCCCC2C)C1=O
InChIInChI=1S/C16H30N2O/c1-4-5-10-14-16(19)18(13(3)17-14)15-11-8-6-7-9-12(15)2/h12-15,17H,4-11H2,1-3H3
InChIKeyVDWXWACZSNTHJP-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.29
Rot. Bonds4

About 5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one

5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one (PubChem CID 83259175) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one
PubChem CID83259175
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(C2CCCCCC2C)C1=O
InChIInChI=1S/C16H30N2O/c1-4-5-10-14-16(19)18(13(3)17-14)15-11-8-6-7-9-12(15)2/h12-15,17H,4-11H2,1-3H3
InChIKeyVDWXWACZSNTHJP-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-2-methyl-3-(2-propylcyclopropyl)imidazolidin-4-one
CID 114112419
2-ethyl-3-(2-methylcycloheptyl)-5-propylimidazolidin-4-one
CID 83258935
5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one
CID 83270218
5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one
CID 83264217
5-butyl-3-cyclooctyl-2-propylimidazolidin-4-one
CID 83238137
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83249017
5-butyl-3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
CID 83244477
6-ethyl-1-(2-methylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64959124
5-butyl-2-cyclopentyl-3-(3-methylcyclopentyl)imidazolidin-4-one
CID 114552252
5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83250992
3-(2-methylcyclopentyl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83264047
5-ethyl-3-(2-methylcyclohexyl)-2-propan-2-ylimidazolidin-4-one
CID 83238642

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one (CID 83259175) is 5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one is CCCCC1NC(C)N(C2CCCCCC2C)C1=O.
What is the InChIKey of 5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one?
The InChIKey is VDWXWACZSNTHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-5-10-14-16(19)18(13(3)17-14)15-11-8-6-7-9-12(15)2/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one?
5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one has a molecular weight of 266.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-3-(2-methylcycloheptyl)imidazolidin-4-one is sourced from PubChem (CID 83259175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).