1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole

C14H7Cl2F3N2 — CID 63545740

IUPAC1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
SMILESFc1ccc(-n2c(CCl)nc3ccc(F)c(F)c32)c(Cl)c1
InChIInChI=1S/C14H7Cl2F3N2/c15-6-12-20-10-3-2-9(18)13(19)14(10)21(12)11-4-1-7(17)5-8(11)16/h1-5H,6H2
InChIKeySHCVXUQYTBFDNN-UHFFFAOYSA-N
MW331.12 g/mol
LogP4.84
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole

1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole (PubChem CID 63545740) has the molecular formula C14H7Cl2F3N2 and a molecular weight of 331.12 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
PubChem CID63545740
Molecular FormulaC14H7Cl2F3N2
Molecular Weight331.12 g/mol
Exact Mass329.99
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
SMILESFc1ccc(-n2c(CCl)nc3ccc(F)c(F)c32)c(Cl)c1
InChIInChI=1S/C14H7Cl2F3N2/c15-6-12-20-10-3-2-9(18)13(19)14(10)21(12)11-4-1-7(17)5-8(11)16/h1-5H,6H2
InChIKeySHCVXUQYTBFDNN-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-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 81281428
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 63546819
7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole
CID 79766177
2-(chloromethyl)-6-fluoro-1-(2,3,4-trifluorophenyl)benzimidazole
CID 62378416
2-(chloromethyl)-1-(2-ethylphenyl)-6,7-difluorobenzimidazole
CID 63547054
2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79046056
3-(2-chloro-4-fluorophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61064406
2-(chloromethyl)-1-(4-ethylphenyl)-6,7-difluorobenzimidazole
CID 63546704
1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43661001
2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 62533402
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111785
5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43659708

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole (CID 63545740) is 1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole is Fc1ccc(-n2c(CCl)nc3ccc(F)c(F)c32)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole?
The InChIKey is SHCVXUQYTBFDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2/c15-6-12-20-10-3-2-9(18)13(19)14(10)21(12)11-4-1-7(17)5-8(11)16/h1-5H,6H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole?
1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole 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 1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole is sourced from PubChem (CID 63545740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).