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

C15H11ClFIN2 — CID 43666862

IUPAC2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
SMILESFc1ccc2c(c1)nc(CCCl)n2-c1ccc(I)cc1
InChIInChI=1S/C15H11ClFIN2/c16-8-7-15-19-13-9-10(17)1-6-14(13)20(15)12-4-2-11(18)3-5-12/h1-6,9H,7-8H2
InChIKeyAQCMQXNAWDSESZ-UHFFFAOYSA-N
MW400.62 g/mol
LogP4.55
Rot. Bonds3

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

2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole (PubChem CID 43666862) has the molecular formula C15H11ClFIN2 and a molecular weight of 400.62 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
PubChem CID43666862
Molecular FormulaC15H11ClFIN2
Molecular Weight400.62 g/mol
Exact Mass399.96
IUPAC Name2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
SMILESFc1ccc2c(c1)nc(CCCl)n2-c1ccc(I)cc1
InChIInChI=1S/C15H11ClFIN2/c16-8-7-15-19-13-9-10(17)1-6-14(13)20(15)12-4-2-11(18)3-5-12/h1-6,9H,7-8H2
InChIKeyAQCMQXNAWDSESZ-UHFFFAOYSA-N
XLogP4.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.62
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
CID 66093008
2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole
CID 43666727
2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole
CID 66079847
2-(2-chloroethyl)-5-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79044549
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole
CID 43660474
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-methylphenyl)benzimidazole
CID 66095889
2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole
CID 63546455
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368
2-(2-chloroethyl)-3-(4-iodophenyl)benzimidazole-5-carbonitrile
CID 104715345
2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole
CID 43667053
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole (CID 43666862) is 2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole is Fc1ccc2c(c1)nc(CCCl)n2-c1ccc(I)cc1.
What is the InChIKey of 2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole?
The InChIKey is AQCMQXNAWDSESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFIN2/c16-8-7-15-19-13-9-10(17)1-6-14(13)20(15)12-4-2-11(18)3-5-12/h1-6,9H,7-8H2.
What are the key properties of 2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole?
2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole has a molecular weight of 400.62 g/mol, XLogP of 4.55, 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-(4-iodophenyl)benzimidazole is sourced from PubChem (CID 43666862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).