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

C15H11Cl3N2 — CID 43666804

IUPAC2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole
SMILESClCCc1nc2ccccc2n1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3N2/c16-8-7-15-19-12-3-1-2-4-13(12)20(15)14-9-10(17)5-6-11(14)18/h1-6,9H,7-8H2
InChIKeyDMGDHWKSEIMEJS-UHFFFAOYSA-N
MW325.63 g/mol
LogP5.11
Rot. Bonds3

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

2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole (PubChem CID 43666804) has the molecular formula C15H11Cl3N2 and a molecular weight of 325.63 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole
PubChem CID43666804
Molecular FormulaC15H11Cl3N2
Molecular Weight325.63 g/mol
Exact Mass324.00
IUPAC Name2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole
SMILESClCCc1nc2ccccc2n1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3N2/c16-8-7-15-19-12-3-1-2-4-13(12)20(15)14-9-10(17)5-6-11(14)18/h1-6,9H,7-8H2
InChIKeyDMGDHWKSEIMEJS-UHFFFAOYSA-N
XLogP5.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 55.11
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

2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914
5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole
CID 43667207
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
CID 43667243
2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine
CID 96668272
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279269
1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 82766388
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole
CID 66082431
1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 43666818

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole (CID 43666804) is 2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole is ClCCc1nc2ccccc2n1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole?
The InChIKey is DMGDHWKSEIMEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2/c16-8-7-15-19-12-3-1-2-4-13(12)20(15)14-9-10(17)5-6-11(14)18/h1-6,9H,7-8H2.
What are the key properties of 2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole?
2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole has a molecular weight of 325.63 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole is sourced from PubChem (CID 43666804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).