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

C16H13Cl3N2 — CID 43666807

IUPAC2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(C(C)Cl)n2-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl3N2/c1-9-3-6-14-13(7-9)20-16(10(2)17)21(14)15-8-11(18)4-5-12(15)19/h3-8,10H,1-2H3
InChIKeyHCPPQCSAJUOSTD-UHFFFAOYSA-N
MW339.65 g/mol
LogP5.94
Rot. Bonds2

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

2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole (PubChem CID 43666807) has the molecular formula C16H13Cl3N2 and a molecular weight of 339.65 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
PubChem CID43666807
Molecular FormulaC16H13Cl3N2
Molecular Weight339.65 g/mol
Exact Mass338.01
IUPAC Name2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(C(C)Cl)n2-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl3N2/c1-9-3-6-14-13(7-9)20-16(10(2)17)21(14)15-8-11(18)4-5-12(15)19/h3-8,10H,1-2H3
InChIKeyHCPPQCSAJUOSTD-UHFFFAOYSA-N
XLogP5.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 55.94
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

1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 81280966
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637877
1-(2-bromo-5-methylphenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 82747136
2-(1-chloroethyl)-1-(2-chloro-4-iodophenyl)-5-methylbenzimidazole
CID 107607281
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637841
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole
CID 43666722
2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667555
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole
CID 115552805
1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497400
5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole
CID 43667557
5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole
CID 43667284

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole (CID 43666807) is 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(C(C)Cl)n2-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole?
The InChIKey is HCPPQCSAJUOSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2/c1-9-3-6-14-13(7-9)20-16(10(2)17)21(14)15-8-11(18)4-5-12(15)19/h3-8,10H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole?
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole has a molecular weight of 339.65 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole is sourced from PubChem (CID 43666807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).