2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole

C16H14ClFN2O — CID 43666703

IUPAC2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2c(C(C)Cl)nc3cc(F)ccc32)cc1
InChIInChI=1S/C16H14ClFN2O/c1-10(17)16-19-14-9-11(18)3-8-15(14)20(16)12-4-6-13(21-2)7-5-12/h3-10H,1-2H3
InChIKeyQWTIYOVFIDHPJV-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.47
Rot. Bonds3

About 2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole

2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole (PubChem CID 43666703) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
PubChem CID43666703
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2c(C(C)Cl)nc3cc(F)ccc32)cc1
InChIInChI=1S/C16H14ClFN2O/c1-10(17)16-19-14-9-11(18)3-8-15(14)20(16)12-4-6-13(21-2)7-5-12/h3-10H,1-2H3
InChIKeyQWTIYOVFIDHPJV-UHFFFAOYSA-N
XLogP4.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(1-chloroethyl)-1-(4-methoxyphenyl)benzimidazole
CID 43666701
2-(1-chloroethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43666710
2-(1-chloroethyl)-5-fluoro-1-(2-methoxyphenyl)benzimidazole
CID 43666773
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368
2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667555
2-(1-chloroethyl)-1-(3-fluorophenyl)-5-iodobenzimidazole
CID 66081816
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637877
5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
CID 43667015
1-(4-bromophenyl)-2-(1-chloroethyl)-5-iodobenzimidazole
CID 66082217
2-(1-chloroethyl)-5-fluoro-1-(2-methoxy-2-methylpropyl)benzimidazole
CID 104763471
2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine
CID 79272888
1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine
CID 77456368

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole (CID 43666703) is 2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole is COc1ccc(-n2c(C(C)Cl)nc3cc(F)ccc32)cc1.
What is the InChIKey of 2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole?
The InChIKey is QWTIYOVFIDHPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-10(17)16-19-14-9-11(18)3-8-15(14)20(16)12-4-6-13(21-2)7-5-12/h3-10H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole?
2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole has a molecular weight of 304.75 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 43666703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).