1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one

C18H25Cl2N3O — CID 23465963

IUPAC1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCN=C1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H25Cl2N3O/c1-2-3-4-5-6-7-8-17(24)23-12-11-21-18(23)22-16-10-9-14(19)13-15(16)20/h9-10,13H,2-8,11-12H2,1H3,(H,21,22)
InChIKeyGTXJBTYXEIDLLV-UHFFFAOYSA-N
MW370.32 g/mol
LogP5.35
Rot. Bonds8

About 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one

1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one (PubChem CID 23465963) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one.

Molecular Properties

Compound Name1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one
PubChem CID23465963
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCN=C1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H25Cl2N3O/c1-2-3-4-5-6-7-8-17(24)23-12-11-21-18(23)22-16-10-9-14(19)13-15(16)20/h9-10,13H,2-8,11-12H2,1H3,(H,21,22)
InChIKeyGTXJBTYXEIDLLV-UHFFFAOYSA-N
XLogP5.35
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.32
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one?
The IUPAC name of 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one (CID 23465963) is 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one.
What is the SMILES notation for 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one?
The canonical SMILES for 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one is CCCCCCCCC(=O)N1CCN=C1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one?
The InChIKey is GTXJBTYXEIDLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O/c1-2-3-4-5-6-7-8-17(24)23-12-11-21-18(23)22-16-10-9-14(19)13-15(16)20/h9-10,13H,2-8,11-12H2,1H3,(H,21,22).
What are the key properties of 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one?
1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one has a molecular weight of 370.32 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one is sourced from PubChem (CID 23465963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).