1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole

C15H10BrCl2FN2 — CID 107637715

IUPAC1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
SMILESCc1c(Br)cccc1-n1c(CCl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C15H10BrCl2FN2/c1-8-9(16)3-2-4-13(8)21-14-6-11(19)10(18)5-12(14)20-15(21)7-17/h2-6H,7H2,1H3
InChIKeyRZGKQNHFZPLPNO-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.63
Rot. Bonds2

About 1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole

1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole (PubChem CID 107637715) has the molecular formula C15H10BrCl2FN2 and a molecular weight of 388.07 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
PubChem CID107637715
Molecular FormulaC15H10BrCl2FN2
Molecular Weight388.07 g/mol
Exact Mass385.94
IUPAC Name1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
SMILESCc1c(Br)cccc1-n1c(CCl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C15H10BrCl2FN2/c1-8-9(16)3-2-4-13(8)21-14-6-11(19)10(18)5-12(14)20-15(21)7-17/h2-6H,7H2,1H3
InChIKeyRZGKQNHFZPLPNO-UHFFFAOYSA-N
XLogP5.63
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 ≤ 55.63
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

1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111785
5-bromo-2-(chloromethyl)-1-(2-chloro-4-methylphenyl)-6-fluorobenzimidazole
CID 66088497
1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 107637640
5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole
CID 43660831
6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
CID 116738729
1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
3-(3-bromo-2-methylphenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107637697
1-(5-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluoro-6-methylbenzimidazole
CID 103593684
1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 66093632

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole (CID 107637715) is 1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole is Cc1c(Br)cccc1-n1c(CCl)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole?
The InChIKey is RZGKQNHFZPLPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FN2/c1-8-9(16)3-2-4-13(8)21-14-6-11(19)10(18)5-12(14)20-15(21)7-17/h2-6H,7H2,1H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole?
1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole has a molecular weight of 388.07 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole is sourced from PubChem (CID 107637715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).