6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole

C15H11Cl2FN2O — CID 114840293

IUPAC6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
SMILESCOc1cc(-n2c(CCl)nc3ccc(Cl)cc32)ccc1F
InChIInChI=1S/C15H11Cl2FN2O/c1-21-14-7-10(3-4-11(14)18)20-13-6-9(17)2-5-12(13)19-15(20)8-16/h2-7H,8H2,1H3
InChIKeyNRPPSWQYNNSKQE-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.57
Rot. Bonds3

About 6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole

6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole (PubChem CID 114840293) has the molecular formula C15H11Cl2FN2O and a molecular weight of 325.17 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
PubChem CID114840293
Molecular FormulaC15H11Cl2FN2O
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
SMILESCOc1cc(-n2c(CCl)nc3ccc(Cl)cc32)ccc1F
InChIInChI=1S/C15H11Cl2FN2O/c1-21-14-7-10(3-4-11(14)18)20-13-6-9(17)2-5-12(13)19-15(20)8-16/h2-7H,8H2,1H3
InChIKeyNRPPSWQYNNSKQE-UHFFFAOYSA-N
XLogP4.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-6-fluoro-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 62377722
7-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840272
6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
CID 115470981
1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-6-methylbenzimidazole
CID 107622390
2-(chloromethyl)-5-fluoro-1-(4-iodophenyl)-6-methoxybenzimidazole
CID 63597393
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
CID 104780055
1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 107622367
1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471721
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 29075973
6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole
CID 115470935
6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole
CID 115471671
3-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylaniline
CID 115471786

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole (CID 114840293) is 6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole is COc1cc(-n2c(CCl)nc3ccc(Cl)cc32)ccc1F.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole?
The InChIKey is NRPPSWQYNNSKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O/c1-21-14-7-10(3-4-11(14)18)20-13-6-9(17)2-5-12(13)19-15(20)8-16/h2-7H,8H2,1H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole?
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole has a molecular weight of 325.17 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole is sourced from PubChem (CID 114840293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).