3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione

Name: 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₂Cl₂N₂O₂ — CID 154063796

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione

SMILESO=C1NC(=Cc2ccc(Cl)cc2)C(=O)N1CCCCCCCCCl

InChIInChI=1S/C18H22Cl2N2O2/c19-11-5-3-1-2-4-6-12-22-17(23)16(21-18(22)24)13-14-7-9-15(20)10-8-14/h7-10,13H,1-6,11-12H2,(H,21,24)

InChIKeyMXURFPGLJROYJZ-UHFFFAOYSA-N

MW369.29 g/mol

LogP4.81

Rot. Bonds9

About 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione

3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 154063796) has the molecular formula C₁₈H₂₂Cl₂N₂O₂ and a molecular weight of 369.29 g/mol. Its IUPAC name is 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID	154063796
Molecular Formula	C₁₈H₂₂Cl₂N₂O₂
Molecular Weight	369.29 g/mol
Exact Mass	368.11
IUPAC Name	3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
SMILES	O=C1NC(=Cc2ccc(Cl)cc2)C(=O)N1CCCCCCCCCl
InChI	InChI=1S/C18H22Cl2N2O2/c19-11-5-3-1-2-4-6-12-22-17(23)16(21-18(22)24)13-14-7-9-15(20)10-8-14/h7-10,13H,1-6,11-12H2,(H,21,24)
InChIKey	MXURFPGLJROYJZ-UHFFFAOYSA-N
XLogP	4.81
TPSA	49.41 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	9
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.29
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?

The IUPAC name of 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione (CID 154063796) is 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione.

What is the SMILES notation for 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?

The canonical SMILES for 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=Cc2ccc(Cl)cc2)C(=O)N1CCCCCCCCCl.

What is the InChIKey of 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?

The InChIKey is MXURFPGLJROYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2/c19-11-5-3-1-2-4-6-12-22-17(23)16(21-18(22)24)13-14-7-9-15(20)10-8-14/h7-10,13H,1-6,11-12H2,(H,21,24).

What are the key properties of 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?

3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 369.29 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 154063796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154063796 — identifiers, structure, computed properties (public domain)

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