4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole

C15H10Cl3FN2 — CID 104837807

IUPAC4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
SMILESFc1cc(Cl)ccc1-n1c(CCCl)nc2c(Cl)cccc21
InChIInChI=1S/C15H10Cl3FN2/c16-7-6-14-20-15-10(18)2-1-3-13(15)21(14)12-5-4-9(17)8-11(12)19/h1-5,8H,6-7H2
InChIKeyYHWIXXMDRVYXKM-UHFFFAOYSA-N
MW343.62 g/mol
LogP5.25
Rot. Bonds3

About 4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole

4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole (PubChem CID 104837807) has the molecular formula C15H10Cl3FN2 and a molecular weight of 343.62 g/mol. Its IUPAC name is 4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
PubChem CID104837807
Molecular FormulaC15H10Cl3FN2
Molecular Weight343.62 g/mol
Exact Mass341.99
IUPAC Name4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
SMILESFc1cc(Cl)ccc1-n1c(CCCl)nc2c(Cl)cccc21
InChIInChI=1S/C15H10Cl3FN2/c16-7-6-14-20-15-10(18)2-1-3-13(15)21(14)12-5-4-9(17)8-11(12)19/h1-5,8H,6-7H2
InChIKeyYHWIXXMDRVYXKM-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

4-chloro-2-(2-chloroethyl)-1-(2,4-difluorophenyl)benzimidazole
CID 104837501
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-4-fluorobenzimidazole
CID 63544886
4-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 104837444
4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837746
2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole
CID 60789245
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-4-fluorobenzimidazole
CID 60789995
5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
CID 43667243
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole
CID 66082431
1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole
CID 104837709
2-(2-chloroethyl)-1-(2,3-difluorophenyl)-4-fluorobenzimidazole
CID 61075587
4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 104837582

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole?
The IUPAC name of 4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole (CID 104837807) is 4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole is Fc1cc(Cl)ccc1-n1c(CCCl)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole?
The InChIKey is YHWIXXMDRVYXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3FN2/c16-7-6-14-20-15-10(18)2-1-3-13(15)21(14)12-5-4-9(17)8-11(12)19/h1-5,8H,6-7H2.
What are the key properties of 4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole?
4-chloro-2-(2-chloroethyl)-1-(4-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 4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole is sourced from PubChem (CID 104837807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).