2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole

C15H11ClF2N2 — CID 43666727

IUPAC2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole
SMILESFc1cccc(-n2c(CCCl)nc3cc(F)ccc32)c1
InChIInChI=1S/C15H11ClF2N2/c16-7-6-15-19-13-9-11(18)4-5-14(13)20(15)12-3-1-2-10(17)8-12/h1-5,8-9H,6-7H2
InChIKeyTZPLUPSGUYHXIC-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.09
Rot. Bonds3

About 2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole

2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole (PubChem CID 43666727) has the molecular formula C15H11ClF2N2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole
PubChem CID43666727
Molecular FormulaC15H11ClF2N2
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole
SMILESFc1cccc(-n2c(CCCl)nc3cc(F)ccc32)c1
InChIInChI=1S/C15H11ClF2N2/c16-7-6-15-19-13-9-11(18)4-5-14(13)20(15)12-3-1-2-10(17)8-12/h1-5,8-9H,6-7H2
InChIKeyTZPLUPSGUYHXIC-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)-5-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79044549
2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
CID 43666862
2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 63545555
2-(chloromethyl)-1-(3-chlorophenyl)-5-fluorobenzimidazole
CID 43660375
2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole
CID 60790473
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
CID 43659691
1-(3-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 63545191
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole
CID 43660474
2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole
CID 43667053
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 107637640
2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole
CID 63546455

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole (CID 43666727) is 2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole is Fc1cccc(-n2c(CCCl)nc3cc(F)ccc32)c1.
What is the InChIKey of 2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole?
The InChIKey is TZPLUPSGUYHXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2/c16-7-6-15-19-13-9-11(18)4-5-14(13)20(15)12-3-1-2-10(17)8-12/h1-5,8-9H,6-7H2.
What are the key properties of 2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole?
2-(2-chloroethyl)-5-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)-5-fluoro-1-(3-fluorophenyl)benzimidazole is sourced from PubChem (CID 43666727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).