2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole

C15H11ClF2N2 — CID 60790473

IUPAC2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole
SMILESFc1cccc(-n2c(CCCl)nc3c(F)cccc32)c1
InChIInChI=1S/C15H11ClF2N2/c16-8-7-14-19-15-12(18)5-2-6-13(15)20(14)11-4-1-3-10(17)9-11/h1-6,9H,7-8H2
InChIKeyPYBMYEUUMGTUMW-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.09
Rot. Bonds3

About 2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole

2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole (PubChem CID 60790473) has the molecular formula C15H11ClF2N2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole
PubChem CID60790473
Molecular FormulaC15H11ClF2N2
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole
SMILESFc1cccc(-n2c(CCCl)nc3c(F)cccc32)c1
InChIInChI=1S/C15H11ClF2N2/c16-8-7-14-19-15-12(18)5-2-6-13(15)20(14)11-4-1-3-10(17)9-11/h1-6,9H,7-8H2
InChIKeyPYBMYEUUMGTUMW-UHFFFAOYSA-N
XLogP4.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.09
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-(2,4-difluorophenyl)-4-fluorobenzimidazole
CID 60789245
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-4-fluorobenzimidazole
CID 60789995
2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole
CID 43666727
2-(2-chloroethyl)-1-(2,3-difluorophenyl)-4-fluorobenzimidazole
CID 61075587
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-4-fluorobenzimidazole
CID 63544886
4-chloro-2-(2-chloroethyl)-1-(2,4-difluorophenyl)benzimidazole
CID 104837501
4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837746
2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 63545555
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
CID 43659691
1-(3-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 63545191
1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107638125
4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 104837807

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole (CID 60790473) is 2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole is Fc1cccc(-n2c(CCCl)nc3c(F)cccc32)c1.
What is the InChIKey of 2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole?
The InChIKey is PYBMYEUUMGTUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2/c16-8-7-14-19-15-12(18)5-2-6-13(15)20(14)11-4-1-3-10(17)9-11/h1-6,9H,7-8H2.
What are the key properties of 2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole?
2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole has a molecular weight of 292.72 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole is sourced from PubChem (CID 60790473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).