1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole

C14H9BrCl2N2 — CID 43659727

IUPAC1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
SMILESClCc1nc2cc(Cl)ccc2n1-c1ccc(Br)cc1
InChIInChI=1S/C14H9BrCl2N2/c15-9-1-4-11(5-2-9)19-13-6-3-10(17)7-12(13)18-14(19)8-16/h1-7H,8H2
InChIKeyHWUKXSGKOMTBRJ-UHFFFAOYSA-N
MW356.05 g/mol
LogP5.18
Rot. Bonds2

About 1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole

1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole (PubChem CID 43659727) has the molecular formula C14H9BrCl2N2 and a molecular weight of 356.05 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
PubChem CID43659727
Molecular FormulaC14H9BrCl2N2
Molecular Weight356.05 g/mol
Exact Mass353.93
IUPAC Name1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
SMILESClCc1nc2cc(Cl)ccc2n1-c1ccc(Br)cc1
InChIInChI=1S/C14H9BrCl2N2/c15-9-1-4-11(5-2-9)19-13-6-3-10(17)7-12(13)18-14(19)8-16/h1-7H,8H2
InChIKeyHWUKXSGKOMTBRJ-UHFFFAOYSA-N
XLogP5.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.05
LogP ≤ 55.18
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
5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
CID 81275644
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
CID 43659691
5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole
CID 43659702
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 107614154
1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471721
5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 43660441
5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole
CID 43666944
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 65346271
5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
CID 43666790
5-bromo-2-(chloromethyl)-1-(1-methylpyrazol-4-yl)benzimidazole
CID 79779426

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole (CID 43659727) is 1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole is ClCc1nc2cc(Cl)ccc2n1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole?
The InChIKey is HWUKXSGKOMTBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2N2/c15-9-1-4-11(5-2-9)19-13-6-3-10(17)7-12(13)18-14(19)8-16/h1-7H,8H2.
What are the key properties of 1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole?
1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole has a molecular weight of 356.05 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 43659727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).