6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole

C14H8BrCl2FN2 — CID 65346271

IUPAC6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole
SMILESFc1cc(-n2c(CCl)nc3ccc(Br)cc32)ccc1Cl
InChIInChI=1S/C14H8BrCl2FN2/c15-8-1-4-12-13(5-8)20(14(7-16)19-12)9-2-3-10(17)11(18)6-9/h1-6H,7H2
InChIKeyCRYRKEIBSDZWGP-UHFFFAOYSA-N
MW374.04 g/mol
LogP5.32
Rot. Bonds2

About 6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole

6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole (PubChem CID 65346271) has the molecular formula C14H8BrCl2FN2 and a molecular weight of 374.04 g/mol. Its IUPAC name is 6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole
PubChem CID65346271
Molecular FormulaC14H8BrCl2FN2
Molecular Weight374.04 g/mol
Exact Mass371.92
IUPAC Name6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole
SMILESFc1cc(-n2c(CCl)nc3ccc(Br)cc32)ccc1Cl
InChIInChI=1S/C14H8BrCl2FN2/c15-8-1-4-12-13(5-8)20(14(7-16)19-12)9-2-3-10(17)11(18)6-9/h1-6H,7H2
InChIKeyCRYRKEIBSDZWGP-UHFFFAOYSA-N
XLogP5.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.04
LogP ≤ 55.32
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-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole
CID 65344978
6-bromo-2-(1-chloroethyl)-1-(4-chloro-3-fluorophenyl)benzimidazole
CID 65346315
1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471721
6-bromo-2-(chloromethyl)-1-(2-fluoro-5-methylphenyl)benzimidazole
CID 65344941
1-(5-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluoro-6-methylbenzimidazole
CID 103593684
1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 43659727
6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine
CID 65347263
1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66109821
6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 107593137
1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471654
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
CID 104780055

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole?
The IUPAC name of 6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole (CID 65346271) is 6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole?
The canonical SMILES for 6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole is Fc1cc(-n2c(CCl)nc3ccc(Br)cc32)ccc1Cl.
What is the InChIKey of 6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole?
The InChIKey is CRYRKEIBSDZWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2FN2/c15-8-1-4-12-13(5-8)20(14(7-16)19-12)9-2-3-10(17)11(18)6-9/h1-6H,7H2.
What are the key properties of 6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole?
6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole has a molecular weight of 374.04 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 65346271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).