2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole

C15H11ClF2N2O — CID 115509147

IUPAC2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole
SMILESCOc1cccc(-n2c(CCl)nc3c(F)cc(F)cc32)c1
InChIInChI=1S/C15H11ClF2N2O/c1-21-11-4-2-3-10(7-11)20-13-6-9(17)5-12(18)15(13)19-14(20)8-16/h2-7H,8H2,1H3
InChIKeyUPRRAPDXOJQKIQ-UHFFFAOYSA-N
MW308.72 g/mol
LogP4.05
Rot. Bonds3

About 2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole

2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole (PubChem CID 115509147) has the molecular formula C15H11ClF2N2O and a molecular weight of 308.72 g/mol. Its IUPAC name is 2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole
PubChem CID115509147
Molecular FormulaC15H11ClF2N2O
Molecular Weight308.72 g/mol
Exact Mass308.05
IUPAC Name2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole
SMILESCOc1cccc(-n2c(CCl)nc3c(F)cc(F)cc32)c1
InChIInChI=1S/C15H11ClF2N2O/c1-21-11-4-2-3-10(7-11)20-13-6-9(17)5-12(18)15(13)19-14(20)8-16/h2-7H,8H2,1H3
InChIKeyUPRRAPDXOJQKIQ-UHFFFAOYSA-N
XLogP4.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 54.05
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)-1-(3,5-dimethylphenyl)-4,6-difluorobenzimidazole
CID 115509139
6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
CID 115470981
2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole
CID 115509136
5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 66085948
4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 104837657
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
CID 104780055
3-(chloromethyl)-4-(3-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazole
CID 83968081
1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole
CID 115509666
5-bromo-2-(chloromethyl)-1-(3-ethylphenyl)-6-fluorobenzimidazole
CID 66088111
3-(chloromethyl)-4-(3-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazole
CID 83968086
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368
2-(chloromethyl)-6-fluoro-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 62377722

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole (CID 115509147) is 2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole is COc1cccc(-n2c(CCl)nc3c(F)cc(F)cc32)c1.
What is the InChIKey of 2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole?
The InChIKey is UPRRAPDXOJQKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O/c1-21-11-4-2-3-10(7-11)20-13-6-9(17)5-12(18)15(13)19-14(20)8-16/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole?
2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole has a molecular weight of 308.72 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole is sourced from PubChem (CID 115509147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).