2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole

C14H7ClF3IN2 — CID 66094043

IUPAC2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole
SMILESFc1ccc(F)c(-n2c(CCl)nc3cc(I)c(F)cc32)c1
InChIInChI=1S/C14H7ClF3IN2/c15-6-14-20-11-5-10(19)9(18)4-13(11)21(14)12-3-7(16)1-2-8(12)17/h1-5H,6H2
InChIKeySDHPFDUFFVITFP-UHFFFAOYSA-N
MW422.58 g/mol
LogP4.79
Rot. Bonds2

About 2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole

2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole (PubChem CID 66094043) has the molecular formula C14H7ClF3IN2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole
PubChem CID66094043
Molecular FormulaC14H7ClF3IN2
Molecular Weight422.58 g/mol
Exact Mass421.93
IUPAC Name2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole
SMILESFc1ccc(F)c(-n2c(CCl)nc3cc(I)c(F)cc32)c1
InChIInChI=1S/C14H7ClF3IN2/c15-6-14-20-11-5-10(19)9(18)4-13(11)21(14)12-3-7(16)1-2-8(12)17/h1-5H,6H2
InChIKeySDHPFDUFFVITFP-UHFFFAOYSA-N
XLogP4.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.79
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)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole
CID 66093423
1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 66093632
2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole
CID 66093447
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 104780041
2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole
CID 66079847
2-(chloromethyl)-6-fluoro-1-(2,3,4-trifluorophenyl)benzimidazole
CID 62378416
2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole
CID 62811846
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111785
2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole
CID 66100212
2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole
CID 66095293
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43659708

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole (CID 66094043) is 2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole is Fc1ccc(F)c(-n2c(CCl)nc3cc(I)c(F)cc32)c1.
What is the InChIKey of 2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole?
The InChIKey is SDHPFDUFFVITFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3IN2/c15-6-14-20-11-5-10(19)9(18)4-13(11)21(14)12-3-7(16)1-2-8(12)17/h1-5H,6H2.
What are the key properties of 2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole?
2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole has a molecular weight of 422.58 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole is sourced from PubChem (CID 66094043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).