1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione

C20H28N2O3 — CID 138510123

IUPAC1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione
SMILESC=C/C=C\C(=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCCC2C)C1=O
InChIInChI=1S/C20H28N2O3/c1-6-7-10-15(3)17(23)13-22-18(24)20(4,21(5)19(22)25)16-12-9-8-11-14(16)2/h6-7,10,14,16H,1,3,8-9,11-13H2,2,4-5H3/b10-7-
InChIKeyYMFWUPHAGCLOQJ-YFHOEESVSA-N
MW344.46 g/mol
LogP3.33
Rot. Bonds6

About 1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione

1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione (PubChem CID 138510123) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione
PubChem CID138510123
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione
SMILESC=C/C=C\C(=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCCC2C)C1=O
InChIInChI=1S/C20H28N2O3/c1-6-7-10-15(3)17(23)13-22-18(24)20(4,21(5)19(22)25)16-12-9-8-11-14(16)2/h6-7,10,14,16H,1,3,8-9,11-13H2,2,4-5H3/b10-7-
InChIKeyYMFWUPHAGCLOQJ-YFHOEESVSA-N
XLogP3.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione (CID 138510123) is 1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione is C=C/C=C\C(=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCCC2C)C1=O.
What is the InChIKey of 1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione?
The InChIKey is YMFWUPHAGCLOQJ-YFHOEESVSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-6-7-10-15(3)17(23)13-22-18(24)20(4,21(5)19(22)25)16-12-9-8-11-14(16)2/h6-7,10,14,16H,1,3,8-9,11-13H2,2,4-5H3/b10-7-.
What are the key properties of 1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione?
1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione has a molecular weight of 344.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione is sourced from PubChem (CID 138510123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).