2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole

C16H14ClFN2 — CID 43666918

IUPAC2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2-c1ccccc1F
InChIInChI=1S/C16H14ClFN2/c1-11-6-7-15-13(10-11)19-16(8-9-17)20(15)14-5-3-2-4-12(14)18/h2-7,10H,8-9H2,1H3
InChIKeyWNNKTBZCDUPISQ-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.25
Rot. Bonds3

About 2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole

2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole (PubChem CID 43666918) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
PubChem CID43666918
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2-c1ccccc1F
InChIInChI=1S/C16H14ClFN2/c1-11-6-7-15-13(10-11)19-16(8-9-17)20(15)14-5-3-2-4-12(14)18/h2-7,10H,8-9H2,1H3
InChIKeyWNNKTBZCDUPISQ-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.25
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-(3-chloro-2-fluorophenyl)-5-methylbenzimidazole
CID 43667253
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole
CID 43667403
2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301210
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
2-(2-chloroethyl)-1-(4-chloro-2-iodophenyl)-5-methylbenzimidazole
CID 107637947
2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
CID 103593360
5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole
CID 43667207
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637764
1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 82766388
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole (CID 43666918) is 2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCCl)n2-c1ccccc1F.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole?
The InChIKey is WNNKTBZCDUPISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c1-11-6-7-15-13(10-11)19-16(8-9-17)20(15)14-5-3-2-4-12(14)18/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole?
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole has a molecular weight of 288.75 g/mol, XLogP of 4.25, 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-fluorophenyl)-5-methylbenzimidazole is sourced from PubChem (CID 43666918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).