3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione

C16H19ClN2O2 — CID 70509457

IUPAC3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1(c2cccc(CCl)c2)CCCCC1
InChIInChI=1S/C16H19ClN2O2/c17-10-12-5-4-6-13(9-12)16(7-2-1-3-8-16)19-14(20)11-18-15(19)21/h4-6,9H,1-3,7-8,10-11H2,(H,18,21)
InChIKeyLVPUOBRWAIZNOB-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.14
Rot. Bonds3

About 3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione

3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione (PubChem CID 70509457) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione
PubChem CID70509457
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1(c2cccc(CCl)c2)CCCCC1
InChIInChI=1S/C16H19ClN2O2/c17-10-12-5-4-6-13(9-12)16(7-2-1-3-8-16)19-14(20)11-18-15(19)21/h4-6,9H,1-3,7-8,10-11H2,(H,18,21)
InChIKeyLVPUOBRWAIZNOB-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione (CID 70509457) is 3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C1(c2cccc(CCl)c2)CCCCC1.
What is the InChIKey of 3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione?
The InChIKey is LVPUOBRWAIZNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-10-12-5-4-6-13(9-12)16(7-2-1-3-8-16)19-14(20)11-18-15(19)21/h4-6,9H,1-3,7-8,10-11H2,(H,18,21).
What are the key properties of 3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione?
3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione has a molecular weight of 306.79 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70509457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).