5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole

C15H10BrCl3N2 — CID 43667284

IUPAC5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10BrCl3N2/c1-8(17)15-20-12-6-9(16)2-4-14(12)21(15)13-5-3-10(18)7-11(13)19/h2-8H,1H3
InChIKeyBSBWWVUBIUNQAD-UHFFFAOYSA-N
MW404.52 g/mol
LogP6.39
Rot. Bonds2

About 5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole

5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole (PubChem CID 43667284) has the molecular formula C15H10BrCl3N2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole
PubChem CID43667284
Molecular FormulaC15H10BrCl3N2
Molecular Weight404.52 g/mol
Exact Mass401.91
IUPAC Name5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10BrCl3N2/c1-8(17)15-20-12-6-9(16)2-4-14(12)21(15)13-5-3-10(18)7-11(13)19/h2-8H,1H3
InChIKeyBSBWWVUBIUNQAD-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'}

Analyze 5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole
CID 43667557
5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole
CID 43667186
6-bromo-2-(1-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 65346641
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 81280966
1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667170
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667218
1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471109
1-(5-bromo-2-methylphenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471130
1-(2-bromo-5-methylphenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 82747136
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)benzimidazole
CID 81275735
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43666807
1-(2-bromo-4-chlorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471762

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole (CID 43667284) is 5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole is CC(Cl)c1nc2cc(Br)ccc2n1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole?
The InChIKey is BSBWWVUBIUNQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl3N2/c1-8(17)15-20-12-6-9(16)2-4-14(12)21(15)13-5-3-10(18)7-11(13)19/h2-8H,1H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole?
5-bromo-2-(1-chloroethyl)-1-(2,4-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-(2,4-dichlorophenyl)benzimidazole is sourced from PubChem (CID 43667284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).