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

C14H9Cl2FN2 — CID 43659691

IUPAC5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
SMILESFc1cccc(-n2c(CCl)nc3cc(Cl)ccc32)c1
InChIInChI=1S/C14H9Cl2FN2/c15-8-14-18-12-6-9(16)4-5-13(12)19(14)11-3-1-2-10(17)7-11/h1-7H,8H2
InChIKeyMOJJXKKEKLXULF-UHFFFAOYSA-N
MW295.14 g/mol
LogP4.56
Rot. Bonds2

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

5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole (PubChem CID 43659691) has the molecular formula C14H9Cl2FN2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
PubChem CID43659691
Molecular FormulaC14H9Cl2FN2
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
SMILESFc1cccc(-n2c(CCl)nc3cc(Cl)ccc32)c1
InChIInChI=1S/C14H9Cl2FN2/c15-8-14-18-12-6-9(16)4-5-13(12)19(14)11-3-1-2-10(17)7-11/h1-7H,8H2
InChIKeyMOJJXKKEKLXULF-UHFFFAOYSA-N
XLogP4.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 54.56
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)-1-(3-chlorophenyl)-5-fluorobenzimidazole
CID 43660375
5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole
CID 43659702
2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole
CID 43666727
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole
CID 43660474
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 63545555
5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43659708
1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 43659727
2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
CID 43660685
5-chloro-2-(chloromethyl)-1-[2-(3-fluorophenyl)ethyl]benzimidazole
CID 43659788
1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 107368467
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 107614154

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole?
The IUPAC name of 5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole (CID 43659691) is 5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole is Fc1cccc(-n2c(CCl)nc3cc(Cl)ccc32)c1.
What is the InChIKey of 5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole?
The InChIKey is MOJJXKKEKLXULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2/c15-8-14-18-12-6-9(16)4-5-13(12)19(14)11-3-1-2-10(17)7-11/h1-7H,8H2.
What are the key properties of 5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole?
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole has a molecular weight of 295.14 g/mol, XLogP of 4.56, 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-(3-fluorophenyl)benzimidazole is sourced from PubChem (CID 43659691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).