2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole

C15H10ClF3N2 — CID 60789245

IUPAC2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole
SMILESFc1ccc(-n2c(CCCl)nc3c(F)cccc32)c(F)c1
InChIInChI=1S/C15H10ClF3N2/c16-7-6-14-20-15-10(18)2-1-3-13(15)21(14)12-5-4-9(17)8-11(12)19/h1-5,8H,6-7H2
InChIKeySYPRROSXOKIRIO-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.22
Rot. Bonds3

About 2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole

2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole (PubChem CID 60789245) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole
PubChem CID60789245
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole
SMILESFc1ccc(-n2c(CCCl)nc3c(F)cccc32)c(F)c1
InChIInChI=1S/C15H10ClF3N2/c16-7-6-14-20-15-10(18)2-1-3-13(15)21(14)12-5-4-9(17)8-11(12)19/h1-5,8H,6-7H2
InChIKeySYPRROSXOKIRIO-UHFFFAOYSA-N
XLogP4.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.22
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-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-4-fluorobenzimidazole
CID 60789995
4-chloro-2-(2-chloroethyl)-1-(2,4-difluorophenyl)benzimidazole
CID 104837501
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-4-fluorobenzimidazole
CID 63544886
2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole
CID 60790473
2-(2-chloroethyl)-1-(2,3-difluorophenyl)-4-fluorobenzimidazole
CID 61075587
4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 104837807
1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107638125
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719292
4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837746
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole
CID 66079847

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole (CID 60789245) is 2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole is Fc1ccc(-n2c(CCCl)nc3c(F)cccc32)c(F)c1.
What is the InChIKey of 2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole?
The InChIKey is SYPRROSXOKIRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c16-7-6-14-20-15-10(18)2-1-3-13(15)21(14)12-5-4-9(17)8-11(12)19/h1-5,8H,6-7H2.
What are the key properties of 2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole?
2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole has a molecular weight of 310.71 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole is sourced from PubChem (CID 60789245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).