2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide

C12H14BrCl3N2 — CID 22759466

IUPAC2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.ClCC(CC1=NCCN1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl3N2.BrH/c13-7-8(6-11-16-4-5-17-11)12-9(14)2-1-3-10(12)15;/h1-3,8H,4-7H2,(H,16,17);1H
InChIKeyPLFBIYWWTURDGU-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.29
Rot. Bonds4

About 2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide

2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide (PubChem CID 22759466) has the molecular formula C12H14BrCl3N2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide.

Molecular Properties

Compound Name2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide
PubChem CID22759466
Molecular FormulaC12H14BrCl3N2
Molecular Weight372.52 g/mol
Exact Mass369.94
IUPAC Name2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.ClCC(CC1=NCCN1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl3N2.BrH/c13-7-8(6-11-16-4-5-17-11)12-9(14)2-1-3-10(12)15;/h1-3,8H,4-7H2,(H,16,17);1H
InChIKeyPLFBIYWWTURDGU-UHFFFAOYSA-N
XLogP4.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide?
The IUPAC name of 2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide (CID 22759466) is 2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide.
What is the SMILES notation for 2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide?
The canonical SMILES for 2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide is Br.ClCC(CC1=NCCN1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide?
The InChIKey is PLFBIYWWTURDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3N2.BrH/c13-7-8(6-11-16-4-5-17-11)12-9(14)2-1-3-10(12)15;/h1-3,8H,4-7H2,(H,16,17);1H.
What are the key properties of 2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide?
2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide has a molecular weight of 372.52 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide is sourced from PubChem (CID 22759466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).