1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole

C15H10BrCl2FN2 — CID 66109821

IUPAC1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole
SMILESFc1cc2c(cc1Cl)nc(CCCl)n2-c1cccc(Br)c1
InChIInChI=1S/C15H10BrCl2FN2/c16-9-2-1-3-10(6-9)21-14-8-12(19)11(18)7-13(14)20-15(21)4-5-17/h1-3,6-8H,4-5H2
InChIKeyAYGMMJUYPBERFG-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.36
Rot. Bonds3

About 1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole

1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole (PubChem CID 66109821) has the molecular formula C15H10BrCl2FN2 and a molecular weight of 388.07 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole
PubChem CID66109821
Molecular FormulaC15H10BrCl2FN2
Molecular Weight388.07 g/mol
Exact Mass385.94
IUPAC Name1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole
SMILESFc1cc2c(cc1Cl)nc(CCCl)n2-c1cccc(Br)c1
InChIInChI=1S/C15H10BrCl2FN2/c16-9-2-1-3-10(6-9)21-14-8-12(19)11(18)7-13(14)20-15(21)4-5-17/h1-3,6-8H,4-5H2
InChIKeyAYGMMJUYPBERFG-UHFFFAOYSA-N
XLogP5.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.07
LogP ≤ 55.36
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

6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 116738653
1-(3-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 63545191
1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43666700
1-(3-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292847
5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
CID 43666790
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole
CID 43666727
5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
CID 43667243
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 63545555
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(3-methylphenyl)benzimidazole
CID 66095683
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole
CID 107601606

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole?
The IUPAC name of 1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole (CID 66109821) is 1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole.
What is the SMILES notation for 1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole?
The canonical SMILES for 1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole is Fc1cc2c(cc1Cl)nc(CCCl)n2-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole?
The InChIKey is AYGMMJUYPBERFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FN2/c16-9-2-1-3-10(6-9)21-14-8-12(19)11(18)7-13(14)20-15(21)4-5-17/h1-3,6-8H,4-5H2.
What are the key properties of 1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole?
1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole has a molecular weight of 388.07 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole is sourced from PubChem (CID 66109821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).