5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole

C15H11Cl2FN2 — CID 43659708

IUPAC5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
SMILESCc1cc(F)ccc1-n1c(CCl)nc2cc(Cl)ccc21
InChIInChI=1S/C15H11Cl2FN2/c1-9-6-11(18)3-5-13(9)20-14-4-2-10(17)7-12(14)19-15(20)8-16/h2-7H,8H2,1H3
InChIKeyOWRCNVZNFKLHMM-UHFFFAOYSA-N
MW309.17 g/mol
LogP4.87
Rot. Bonds2

About 5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole

5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole (PubChem CID 43659708) has the molecular formula C15H11Cl2FN2 and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
PubChem CID43659708
Molecular FormulaC15H11Cl2FN2
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
SMILESCc1cc(F)ccc1-n1c(CCl)nc2cc(Cl)ccc21
InChIInChI=1S/C15H11Cl2FN2/c1-9-6-11(18)3-5-13(9)20-14-4-2-10(17)7-12(14)19-15(20)8-16/h2-7H,8H2,1H3
InChIKeyOWRCNVZNFKLHMM-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-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660513
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43660459
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
CID 43659691
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43667219
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 107614154
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole
CID 62811846

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole?
The IUPAC name of 5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole (CID 43659708) is 5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole is Cc1cc(F)ccc1-n1c(CCl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole?
The InChIKey is OWRCNVZNFKLHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2/c1-9-6-11(18)3-5-13(9)20-14-4-2-10(17)7-12(14)19-15(20)8-16/h2-7H,8H2,1H3.
What are the key properties of 5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole?
5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole 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 5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole is sourced from PubChem (CID 43659708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).