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

C15H10Cl2F2N2 — CID 43667555

IUPAC2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
SMILESCC(Cl)c1nc2cc(F)ccc2n1-c1cc(Cl)ccc1F
InChIInChI=1S/C15H10Cl2F2N2/c1-8(16)15-20-12-7-10(18)3-5-13(12)21(15)14-6-9(17)2-4-11(14)19/h2-8H,1H3
InChIKeyFYIWLYQDNBLRDI-UHFFFAOYSA-N
MW327.16 g/mol
LogP5.26
Rot. Bonds2

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

2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole (PubChem CID 43667555) has the molecular formula C15H10Cl2F2N2 and a molecular weight of 327.16 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
PubChem CID43667555
Molecular FormulaC15H10Cl2F2N2
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
SMILESCC(Cl)c1nc2cc(F)ccc2n1-c1cc(Cl)ccc1F
InChIInChI=1S/C15H10Cl2F2N2/c1-8(16)15-20-12-7-10(18)3-5-13(12)21(15)14-6-9(17)2-4-11(14)19/h2-8H,1H3
InChIKeyFYIWLYQDNBLRDI-UHFFFAOYSA-N
XLogP5.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.16
LogP ≤ 55.26
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

5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole
CID 43667557
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667218
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637877
2-(1-chloroethyl)-5-fluoro-1-(2-methoxyphenyl)benzimidazole
CID 43666773
6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 115470923
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43666807
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole
CID 81279916
1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471109
2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43666703
1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667170
1-(2-bromo-5-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107638114
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole (CID 43667555) is 2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole is CC(Cl)c1nc2cc(F)ccc2n1-c1cc(Cl)ccc1F.
What is the InChIKey of 2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole?
The InChIKey is FYIWLYQDNBLRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2N2/c1-8(16)15-20-12-7-10(18)3-5-13(12)21(15)14-6-9(17)2-4-11(14)19/h2-8H,1H3.
What are the key properties of 2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole?
2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole has a molecular weight of 327.16 g/mol, XLogP of 5.26, 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-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole is sourced from PubChem (CID 43667555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).