1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole

C15H11Cl2FN2 — CID 107368467

IUPAC1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2-c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H11Cl2FN2/c1-9-2-3-14-13(4-9)19-15(8-16)20(14)12-6-10(17)5-11(18)7-12/h2-7H,8H2,1H3
InChIKeyCXDKGAIIWDGYCY-UHFFFAOYSA-N
MW309.17 g/mol
LogP4.87
Rot. Bonds2

About 1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole

1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole (PubChem CID 107368467) has the molecular formula C15H11Cl2FN2 and a molecular weight of 309.17 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
PubChem CID107368467
Molecular FormulaC15H11Cl2FN2
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2-c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H11Cl2FN2/c1-9-2-3-14-13(4-9)19-15(8-16)20(14)12-6-10(17)5-11(18)7-12/h2-7H,8H2,1H3
InChIKeyCXDKGAIIWDGYCY-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 54.87
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

2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole
CID 63547219
5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79050150
5-bromo-1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107368490
2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
2-(chloromethyl)-1-(3-chlorophenyl)-5-fluorobenzimidazole
CID 43660375
2-(2-chloroethyl)-5-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79044549
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
CID 43659691
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660941
1-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 102854313

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole (CID 107368467) is 1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCl)n2-c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole?
The InChIKey is CXDKGAIIWDGYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2/c1-9-2-3-14-13(4-9)19-15(8-16)20(14)12-6-10(17)5-11(18)7-12/h2-7H,8H2,1H3.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole?
1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole has a molecular weight of 309.17 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole is sourced from PubChem (CID 107368467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).