5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one

C15H28N2O — CID 83254446

IUPAC5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one
SMILESCCC(C)C1NCN(CC2CCC(C)CC2)C1=O
InChIInChI=1S/C15H28N2O/c1-4-12(3)14-15(18)17(10-16-14)9-13-7-5-11(2)6-8-13/h11-14,16H,4-10H2,1-3H3
InChIKeyMPFKPHUIRSSVKO-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.62
Rot. Bonds4

About 5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one

5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one (PubChem CID 83254446) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one
PubChem CID83254446
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one
SMILESCCC(C)C1NCN(CC2CCC(C)CC2)C1=O
InChIInChI=1S/C15H28N2O/c1-4-12(3)14-15(18)17(10-16-14)9-13-7-5-11(2)6-8-13/h11-14,16H,4-10H2,1-3H3
InChIKeyMPFKPHUIRSSVKO-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 4520677
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CID 3240291
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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one (CID 83254446) is 5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one is CCC(C)C1NCN(CC2CCC(C)CC2)C1=O.
What is the InChIKey of 5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one?
The InChIKey is MPFKPHUIRSSVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-12(3)14-15(18)17(10-16-14)9-13-7-5-11(2)6-8-13/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one?
5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one has a molecular weight of 252.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83254446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).