5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione

C19H26FN3O2 — CID 70377188

IUPAC5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione
SMILESCCN(CC1C(=O)N(c2ccccc2F)C(=O)N1C)C1CCCCC1
InChIInChI=1S/C19H26FN3O2/c1-3-22(14-9-5-4-6-10-14)13-17-18(24)23(19(25)21(17)2)16-12-8-7-11-15(16)20/h7-8,11-12,14,17H,3-6,9-10,13H2,1-2H3
InChIKeyVOSOIJNELZIMQM-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.25
Rot. Bonds5

About 5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione

5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione (PubChem CID 70377188) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione
PubChem CID70377188
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione
SMILESCCN(CC1C(=O)N(c2ccccc2F)C(=O)N1C)C1CCCCC1
InChIInChI=1S/C19H26FN3O2/c1-3-22(14-9-5-4-6-10-14)13-17-18(24)23(19(25)21(17)2)16-12-8-7-11-15(16)20/h7-8,11-12,14,17H,3-6,9-10,13H2,1-2H3
InChIKeyVOSOIJNELZIMQM-UHFFFAOYSA-N
XLogP3.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
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 5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione (CID 70377188) is 5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione is CCN(CC1C(=O)N(c2ccccc2F)C(=O)N1C)C1CCCCC1.
What is the InChIKey of 5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is VOSOIJNELZIMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-22(14-9-5-4-6-10-14)13-17-18(24)23(19(25)21(17)2)16-12-8-7-11-15(16)20/h7-8,11-12,14,17H,3-6,9-10,13H2,1-2H3.
What are the key properties of 5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione?
5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 347.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexyl(ethyl)amino]methyl]-3-(2-fluorophenyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 70377188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).