3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C14H24N2O3 — CID 47395697

IUPAC3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1NC(=O)N(CC2(O)CCCCC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-10(2)8-11-12(17)16(13(18)15-11)9-14(19)6-4-3-5-7-14/h10-11,19H,3-9H2,1-2H3,(H,15,18)
InChIKeyRRHRDXVJNXIQMH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.65
Rot. Bonds4

About 3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 47395697) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID47395697
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1NC(=O)N(CC2(O)CCCCC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-10(2)8-11-12(17)16(13(18)15-11)9-14(19)6-4-3-5-7-14/h10-11,19H,3-9H2,1-2H3,(H,15,18)
InChIKeyRRHRDXVJNXIQMH-UHFFFAOYSA-N
XLogP1.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 47395697) is 3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CC1NC(=O)N(CC2(O)CCCCC2)C1=O.
What is the InChIKey of 3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is RRHRDXVJNXIQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)8-11-12(17)16(13(18)15-11)9-14(19)6-4-3-5-7-14/h10-11,19H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 268.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxycyclohexyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 47395697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).