5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole

C15H10BrCl3N2 — CID 43667186

IUPAC5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10BrCl3N2/c1-8(17)15-20-11-7-9(16)5-6-12(11)21(15)13-4-2-3-10(18)14(13)19/h2-8H,1H3
InChIKeyNIJDYNVDWVFIFS-UHFFFAOYSA-N
MW404.52 g/mol
LogP6.39
Rot. Bonds2

About 5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole

5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole (PubChem CID 43667186) has the molecular formula C15H10BrCl3N2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole
PubChem CID43667186
Molecular FormulaC15H10BrCl3N2
Molecular Weight404.52 g/mol
Exact Mass401.91
IUPAC Name5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10BrCl3N2/c1-8(17)15-20-11-7-9(16)5-6-12(11)21(15)13-4-2-3-10(18)14(13)19/h2-8H,1H3
InChIKeyNIJDYNVDWVFIFS-UHFFFAOYSA-N
XLogP6.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole
CID 43667284
5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole
CID 43667557
1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667170
2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole
CID 66081230
1-(3-bromo-2-methylphenyl)-2-(1-chloroethyl)-5-iodobenzimidazole
CID 107637661
1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole
CID 103480742
5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601498
5-bromo-2-(1-chloroethyl)-1-propan-2-ylbenzimidazole
CID 43666134
5-bromo-2-(1-chloroethyl)-1-(1-methylpyrazol-3-yl)benzimidazole
CID 79778425
1-(4-bromophenyl)-2-(1-chloroethyl)-5-iodobenzimidazole
CID 66082217
1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471109
5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
CID 43667015

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole (CID 43667186) is 5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole is CC(Cl)c1nc2cc(Br)ccc2n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole?
The InChIKey is NIJDYNVDWVFIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl3N2/c1-8(17)15-20-11-7-9(16)5-6-12(11)21(15)13-4-2-3-10(18)14(13)19/h2-8H,1H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole?
5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole has a molecular weight of 404.52 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole is sourced from PubChem (CID 43667186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).