1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione

C25H44N2O4 — CID 19377274

IUPAC1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione
SMILESCC1CCC(C(C)C)C(C2(C3CC(C)CCC3C(C)C)C(=O)N(CO)C(=O)N2CO)C1
InChIInChI=1S/C25H44N2O4/c1-15(2)19-9-7-17(5)11-21(19)25(22-12-18(6)8-10-20(22)16(3)4)23(30)26(13-28)24(31)27(25)14-29/h15-22,28-29H,7-14H2,1-6H3
InChIKeyHXRVOPYQXABCBE-UHFFFAOYSA-N
MW436.64 g/mol
LogP4.31
Rot. Bonds6

About 1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione

1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione (PubChem CID 19377274) has the molecular formula C25H44N2O4 and a molecular weight of 436.64 g/mol. Its IUPAC name is 1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione
PubChem CID19377274
Molecular FormulaC25H44N2O4
Molecular Weight436.64 g/mol
Exact Mass436.33
IUPAC Name1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione
SMILESCC1CCC(C(C)C)C(C2(C3CC(C)CCC3C(C)C)C(=O)N(CO)C(=O)N2CO)C1
InChIInChI=1S/C25H44N2O4/c1-15(2)19-9-7-17(5)11-21(19)25(22-12-18(6)8-10-20(22)16(3)4)23(30)26(13-28)24(31)27(25)14-29/h15-22,28-29H,7-14H2,1-6H3
InChIKeyHXRVOPYQXABCBE-UHFFFAOYSA-N
XLogP4.31
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione with MolForge

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Related Compounds

2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide
CID 173101252
2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one
CID 23154684
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 16734901
2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol
CID 86318673
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
4-methyl-2-nitro-1-propan-2-ylcyclohexane
CID 73030525
(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonic acid
CID 14806226
1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane
CID 173039410
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)formamide
CID 25195885
2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylacetic acid
CID 170995164

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione?
The IUPAC name of 1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione (CID 19377274) is 1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione is CC1CCC(C(C)C)C(C2(C3CC(C)CCC3C(C)C)C(=O)N(CO)C(=O)N2CO)C1.
What is the InChIKey of 1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione?
The InChIKey is HXRVOPYQXABCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O4/c1-15(2)19-9-7-17(5)11-21(19)25(22-12-18(6)8-10-20(22)16(3)4)23(30)26(13-28)24(31)27(25)14-29/h15-22,28-29H,7-14H2,1-6H3.
What are the key properties of 1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione?
1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione has a molecular weight of 436.64 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione is sourced from PubChem (CID 19377274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).