5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole

C15H10Cl3FN2 — CID 43667243

IUPAC5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
SMILESFc1c(Cl)cccc1-n1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C15H10Cl3FN2/c16-7-6-14-20-11-8-9(17)4-5-12(11)21(14)13-3-1-2-10(18)15(13)19/h1-5,8H,6-7H2
InChIKeyRVUREJWFVCWQNV-UHFFFAOYSA-N
MW343.62 g/mol
LogP5.25
Rot. Bonds3

About 5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole

5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole (PubChem CID 43667243) has the molecular formula C15H10Cl3FN2 and a molecular weight of 343.62 g/mol. Its IUPAC name is 5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
PubChem CID43667243
Molecular FormulaC15H10Cl3FN2
Molecular Weight343.62 g/mol
Exact Mass341.99
IUPAC Name5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
SMILESFc1c(Cl)cccc1-n1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C15H10Cl3FN2/c16-7-6-14-20-11-8-9(17)4-5-12(11)21(14)13-3-1-2-10(18)15(13)19/h1-5,8H,6-7H2
InChIKeyRVUREJWFVCWQNV-UHFFFAOYSA-N
XLogP5.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.62
LogP ≤ 55.25
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-(3-chloro-2-fluorophenyl)-5-methylbenzimidazole
CID 43667253
5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole
CID 43667207
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
5-chloro-2-(2-chloroethyl)-1-(2-chloro-6-methylphenyl)benzimidazole
CID 66252376
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896
1-(2-bromo-5-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 107638080
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43667219
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837746
2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole
CID 43666804
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole
CID 66082431
4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 104837807

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole?
The IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole (CID 43667243) is 5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole is Fc1c(Cl)cccc1-n1c(CCCl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole?
The InChIKey is RVUREJWFVCWQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3FN2/c16-7-6-14-20-11-8-9(17)4-5-12(11)21(14)13-3-1-2-10(18)15(13)19/h1-5,8H,6-7H2.
What are the key properties of 5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole?
5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole has a molecular weight of 343.62 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole is sourced from PubChem (CID 43667243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).