6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole

C14H7Cl2F3N2 — CID 115471671

IUPAC6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole
SMILESFc1cc(F)c(-n2c(CCl)nc3ccc(Cl)cc32)c(F)c1
InChIInChI=1S/C14H7Cl2F3N2/c15-6-13-20-11-2-1-7(16)3-12(11)21(13)14-9(18)4-8(17)5-10(14)19/h1-5H,6H2
InChIKeyADDXJXAAKFCIIF-UHFFFAOYSA-N
MW331.12 g/mol
LogP4.84
Rot. Bonds2

About 6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole

6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole (PubChem CID 115471671) has the molecular formula C14H7Cl2F3N2 and a molecular weight of 331.12 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole
PubChem CID115471671
Molecular FormulaC14H7Cl2F3N2
Molecular Weight331.12 g/mol
Exact Mass329.99
IUPAC Name6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole
SMILESFc1cc(F)c(-n2c(CCl)nc3ccc(Cl)cc32)c(F)c1
InChIInChI=1S/C14H7Cl2F3N2/c15-6-13-20-11-2-1-7(16)3-12(11)21(13)14-9(18)4-8(17)5-10(14)19/h1-5H,6H2
InChIKeyADDXJXAAKFCIIF-UHFFFAOYSA-N
XLogP4.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 54.84
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

1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471654
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293
5-bromo-1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107368490
2-(chloromethyl)-6-fluoro-1-(2,3,4-trifluorophenyl)benzimidazole
CID 62378416
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107601623
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
CID 107601497
1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471721
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
CID 43659691
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 107614154
6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
CID 115470981

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole (CID 115471671) is 6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole is Fc1cc(F)c(-n2c(CCl)nc3ccc(Cl)cc32)c(F)c1.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole?
The InChIKey is ADDXJXAAKFCIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2/c15-6-13-20-11-2-1-7(16)3-12(11)21(13)14-9(18)4-8(17)5-10(14)19/h1-5H,6H2.
What are the key properties of 6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole?
6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole has a molecular weight of 331.12 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole is sourced from PubChem (CID 115471671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).