2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole

C15H11ClFIN2 — CID 103593303

IUPAC2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole
SMILESCc1cc2c(cc1F)nc(CCl)n2-c1cccc(I)c1
InChIInChI=1S/C15H11ClFIN2/c1-9-5-14-13(7-12(9)17)19-15(8-16)20(14)11-4-2-3-10(18)6-11/h2-7H,8H2,1H3
InChIKeyNXYCWYMIULWPAM-UHFFFAOYSA-N
MW400.62 g/mol
LogP4.82
Rot. Bonds2

About 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole

2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole (PubChem CID 103593303) has the molecular formula C15H11ClFIN2 and a molecular weight of 400.62 g/mol. Its IUPAC name is 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole
PubChem CID103593303
Molecular FormulaC15H11ClFIN2
Molecular Weight400.62 g/mol
Exact Mass399.96
IUPAC Name2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole
SMILESCc1cc2c(cc1F)nc(CCl)n2-c1cccc(I)c1
InChIInChI=1S/C15H11ClFIN2/c1-9-5-14-13(7-12(9)17)19-15(8-16)20(14)11-4-2-3-10(18)6-11/h2-7H,8H2,1H3
InChIKeyNXYCWYMIULWPAM-UHFFFAOYSA-N
XLogP4.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.62
LogP ≤ 54.82
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-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole
CID 43660474
5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole
CID 43659702
2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole
CID 66093447
2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole
CID 103593331
2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole
CID 103593316
2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole
CID 82801034
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
2-(chloromethyl)-5-fluoro-1-(4-iodophenyl)-6-methoxybenzimidazole
CID 63597393
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(3-methylphenyl)benzimidazole
CID 66095683
1-(5-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluoro-6-methylbenzimidazole
CID 103593684
5-bromo-2-(chloromethyl)-1-(3-ethylphenyl)-6-fluorobenzimidazole
CID 66088111
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
CID 43659691

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole (CID 103593303) is 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole is Cc1cc2c(cc1F)nc(CCl)n2-c1cccc(I)c1.
What is the InChIKey of 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole?
The InChIKey is NXYCWYMIULWPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFIN2/c1-9-5-14-13(7-12(9)17)19-15(8-16)20(14)11-4-2-3-10(18)6-11/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole?
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole has a molecular weight of 400.62 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole is sourced from PubChem (CID 103593303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).