1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole

C15H10BrCl2FN2 — CID 81279916

IUPAC1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole
SMILESCC(Cl)c1nc2ccc(F)cc2n1-c1ccc(Cl)cc1Br
InChIInChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-12-4-3-10(19)7-14(12)21(15)13-5-2-9(18)6-11(13)16/h2-8H,1H3
InChIKeyOKHXTSQBDWJRRL-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.88
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole

1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole (PubChem CID 81279916) has the molecular formula C15H10BrCl2FN2 and a molecular weight of 388.07 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole
PubChem CID81279916
Molecular FormulaC15H10BrCl2FN2
Molecular Weight388.07 g/mol
Exact Mass385.94
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole
SMILESCC(Cl)c1nc2ccc(F)cc2n1-c1ccc(Cl)cc1Br
InChIInChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-12-4-3-10(19)7-14(12)21(15)13-5-2-9(18)6-11(13)16/h2-8H,1H3
InChIKeyOKHXTSQBDWJRRL-UHFFFAOYSA-N
XLogP5.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.07
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole (CID 81279916) is 1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole is CC(Cl)c1nc2ccc(F)cc2n1-c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole?
The InChIKey is OKHXTSQBDWJRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-12-4-3-10(19)7-14(12)21(15)13-5-2-9(18)6-11(13)16/h2-8H,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole?
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole has a molecular weight of 388.07 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole is sourced from PubChem (CID 81279916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).