2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole

C15H10ClF2IN2 — CID 66100212

IUPAC2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole
SMILESFc1cccc(Cn2c(CCl)nc3cc(I)c(F)cc32)c1
InChIInChI=1S/C15H10ClF2IN2/c16-7-15-20-13-6-12(19)11(18)5-14(13)21(15)8-9-2-1-3-10(17)4-9/h1-6H,7-8H2
InChIKeySWRVJGQKKYPRGR-UHFFFAOYSA-N
MW418.61 g/mol
LogP4.71
Rot. Bonds3

About 2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole

2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole (PubChem CID 66100212) has the molecular formula C15H10ClF2IN2 and a molecular weight of 418.61 g/mol. Its IUPAC name is 2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole
PubChem CID66100212
Molecular FormulaC15H10ClF2IN2
Molecular Weight418.61 g/mol
Exact Mass417.95
IUPAC Name2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole
SMILESFc1cccc(Cn2c(CCl)nc3cc(I)c(F)cc32)c1
InChIInChI=1S/C15H10ClF2IN2/c16-7-15-20-13-6-12(19)11(18)5-14(13)21(15)8-9-2-1-3-10(17)4-9/h1-6H,7-8H2
InChIKeySWRVJGQKKYPRGR-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 54.71
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-5-iodo-1-[(4-methylphenyl)methyl]benzimidazole
CID 66100414
2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115509080
2-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960
2-(chloromethyl)-6,7-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 62532382
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
2-(chloromethyl)-6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazole
CID 66094885
2-(chloromethyl)-5-fluoro-1-[(3-methoxyphenyl)methyl]benzimidazole
CID 61029065
2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole
CID 66093423
2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole
CID 66094043
5-chloro-2-(chloromethyl)-1-[2-(3-fluorophenyl)ethyl]benzimidazole
CID 43659788
2-(chloromethyl)-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-5-iodobenzimidazole
CID 106303000
2-(chloromethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-fluoro-5-iodobenzimidazole
CID 115991015

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole?
The IUPAC name of 2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole (CID 66100212) is 2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole is Fc1cccc(Cn2c(CCl)nc3cc(I)c(F)cc32)c1.
What is the InChIKey of 2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole?
The InChIKey is SWRVJGQKKYPRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2IN2/c16-7-15-20-13-6-12(19)11(18)5-14(13)21(15)8-9-2-1-3-10(17)4-9/h1-6H,7-8H2.
What are the key properties of 2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole?
2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole has a molecular weight of 418.61 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole is sourced from PubChem (CID 66100212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).