2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole

C14H9ClFIN2 — CID 43660474

IUPAC2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2-c1cccc(I)c1
InChIInChI=1S/C14H9ClFIN2/c15-8-14-18-12-6-9(16)4-5-13(12)19(14)11-3-1-2-10(17)7-11/h1-7H,8H2
InChIKeyZRXWQAXURMINQE-UHFFFAOYSA-N
MW386.60 g/mol
LogP4.51
Rot. Bonds2

About 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole

2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole (PubChem CID 43660474) has the molecular formula C14H9ClFIN2 and a molecular weight of 386.60 g/mol. Its IUPAC name is 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole
PubChem CID43660474
Molecular FormulaC14H9ClFIN2
Molecular Weight386.60 g/mol
Exact Mass385.95
IUPAC Name2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2-c1cccc(I)c1
InChIInChI=1S/C14H9ClFIN2/c15-8-14-18-12-6-9(16)4-5-13(12)19(14)11-3-1-2-10(17)7-11/h1-7H,8H2
InChIKeyZRXWQAXURMINQE-UHFFFAOYSA-N
XLogP4.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.60
LogP ≤ 54.51
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)-1-(3-chlorophenyl)-5-fluorobenzimidazole
CID 43660375
5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole
CID 43659702
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole
CID 103593303
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
CID 43659691
2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole
CID 43666727
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
CID 43660685
2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
CID 43666862
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368
2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole
CID 62811846
1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 107622367
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-5-fluorobenzonitrile
CID 82684234

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole (CID 43660474) is 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole is Fc1ccc2c(c1)nc(CCl)n2-c1cccc(I)c1.
What is the InChIKey of 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole?
The InChIKey is ZRXWQAXURMINQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFIN2/c15-8-14-18-12-6-9(16)4-5-13(12)19(14)11-3-1-2-10(17)7-11/h1-7H,8H2.
What are the key properties of 2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole?
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole has a molecular weight of 386.60 g/mol, XLogP of 4.51, 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)benzimidazole is sourced from PubChem (CID 43660474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).