2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole

C15H10Cl3FN2 — CID 63546455

IUPAC2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCCl)n(-c3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C15H10Cl3FN2/c16-6-5-15-20-13-4-1-9(19)7-14(13)21(15)10-2-3-11(17)12(18)8-10/h1-4,7-8H,5-6H2
InChIKeyNFKDPCJDIXPDPS-UHFFFAOYSA-N
MW343.62 g/mol
LogP5.25
Rot. Bonds3

About 2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole

2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole (PubChem CID 63546455) has the molecular formula C15H10Cl3FN2 and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole
PubChem CID63546455
Molecular FormulaC15H10Cl3FN2
Molecular Weight343.62 g/mol
Exact Mass341.99
IUPAC Name2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCCl)n(-c3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C15H10Cl3FN2/c16-6-5-15-20-13-4-1-9(19)7-14(13)21(15)10-2-3-11(17)12(18)8-10/h1-4,7-8H,5-6H2
InChIKeyNFKDPCJDIXPDPS-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-chlorophenyl)-6-fluorobenzimidazole
CID 63545555
1-(3-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 63545191
5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
CID 43666790
6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole
CID 115470935
2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole
CID 43666727
1-(4-bromo-3-chlorophenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
CID 107614232
2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
CID 43666862
2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine
CID 81141074
2-(2-chloroethyl)-1-(2,4-dimethylphenyl)-6-fluorobenzimidazole
CID 63547408
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole
CID 63544847
1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 107622367

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole (CID 63546455) is 2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole is Fc1ccc2nc(CCCl)n(-c3ccc(Cl)c(Cl)c3)c2c1.
What is the InChIKey of 2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole?
The InChIKey is NFKDPCJDIXPDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3FN2/c16-6-5-15-20-13-4-1-9(19)7-14(13)21(15)10-2-3-11(17)12(18)8-10/h1-4,7-8H,5-6H2.
What are the key properties of 2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole?
2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole 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 2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole is sourced from PubChem (CID 63546455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).