2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole

C16H13Cl2FN2 — CID 107637877

IUPAC2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
SMILESCc1ccc(Cl)c(-n2c(C(C)Cl)nc3cc(F)ccc32)c1
InChIInChI=1S/C16H13Cl2FN2/c1-9-3-5-12(18)15(7-9)21-14-6-4-11(19)8-13(14)20-16(21)10(2)17/h3-8,10H,1-2H3
InChIKeyOOFMJQIGPFKVOI-UHFFFAOYSA-N
MW323.20 g/mol
LogP5.43
Rot. Bonds2

About 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole

2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole (PubChem CID 107637877) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
PubChem CID107637877
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
SMILESCc1ccc(Cl)c(-n2c(C(C)Cl)nc3cc(F)ccc32)c1
InChIInChI=1S/C16H13Cl2FN2/c1-9-3-5-12(18)15(7-9)21-14-6-4-11(19)8-13(14)20-16(21)10(2)17/h3-8,10H,1-2H3
InChIKeyOOFMJQIGPFKVOI-UHFFFAOYSA-N
XLogP5.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.20
LogP ≤ 55.43
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-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43666807
1-(2-bromo-5-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107638114
2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667555
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637841
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637764
2-(1-chloroethyl)-1-(2-chloro-4-iodophenyl)-5-methylbenzimidazole
CID 107607281
2-(1-chloroethyl)-5-fluoro-1-(2-methoxyphenyl)benzimidazole
CID 43666773
1-(2-bromo-5-methylphenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 82747136
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667218
2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole
CID 107529661
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 81280966

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole (CID 107637877) is 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole is Cc1ccc(Cl)c(-n2c(C(C)Cl)nc3cc(F)ccc32)c1.
What is the InChIKey of 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole?
The InChIKey is OOFMJQIGPFKVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c1-9-3-5-12(18)15(7-9)21-14-6-4-11(19)8-13(14)20-16(21)10(2)17/h3-8,10H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole?
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole has a molecular weight of 323.20 g/mol, XLogP of 5.43, 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-chloro-5-methylphenyl)-5-fluorobenzimidazole is sourced from PubChem (CID 107637877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).