1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole

C13H8BrClFN3 — CID 112740785

IUPAC1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole
SMILESFc1cccc2nc(CCl)n(-c3cncc(Br)c3)c12
InChIInChI=1S/C13H8BrClFN3/c14-8-4-9(7-17-6-8)19-12(5-15)18-11-3-1-2-10(16)13(11)19/h1-4,6-7H,5H2
InChIKeyZNCCBNUKBPNBAN-UHFFFAOYSA-N
MW340.58 g/mol
LogP4.06
Rot. Bonds2

About 1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole

1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole (PubChem CID 112740785) has the molecular formula C13H8BrClFN3 and a molecular weight of 340.58 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole
PubChem CID112740785
Molecular FormulaC13H8BrClFN3
Molecular Weight340.58 g/mol
Exact Mass338.96
IUPAC Name1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole
SMILESFc1cccc2nc(CCl)n(-c3cncc(Br)c3)c12
InChIInChI=1S/C13H8BrClFN3/c14-8-4-9(7-17-6-8)19-12(5-15)18-11-3-1-2-10(16)13(11)19/h1-4,6-7H,5H2
InChIKeyZNCCBNUKBPNBAN-UHFFFAOYSA-N
XLogP4.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.58
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole
CID 104780082
2-(chloromethyl)-7-fluoro-1-methylbenzimidazole
CID 83428061
2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)-7-methylbenzimidazole
CID 115552991
7-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840272
6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 104780070
1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 107614180
2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole
CID 141387694
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61065103
1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107601623
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole (CID 112740785) is 1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole is Fc1cccc2nc(CCl)n(-c3cncc(Br)c3)c12.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole?
The InChIKey is ZNCCBNUKBPNBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFN3/c14-8-4-9(7-17-6-8)19-12(5-15)18-11-3-1-2-10(16)13(11)19/h1-4,6-7H,5H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole?
1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole has a molecular weight of 340.58 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole is sourced from PubChem (CID 112740785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).