2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole

C15H10ClF2IN2 — CID 82801034

IUPAC2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole
SMILESCc1ccc(F)c(-n2c(CCl)nc3cc(I)ccc32)c1F
InChIInChI=1S/C15H10ClF2IN2/c1-8-2-4-10(17)15(14(8)18)21-12-5-3-9(19)6-11(12)20-13(21)7-16/h2-6H,7H2,1H3
InChIKeyIERKGMGCKLNCTL-UHFFFAOYSA-N
MW418.61 g/mol
LogP4.96
Rot. Bonds2

About 2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole

2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole (PubChem CID 82801034) has the molecular formula C15H10ClF2IN2 and a molecular weight of 418.61 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole
PubChem CID82801034
Molecular FormulaC15H10ClF2IN2
Molecular Weight418.61 g/mol
Exact Mass417.95
IUPAC Name2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole
SMILESCc1ccc(F)c(-n2c(CCl)nc3cc(I)ccc32)c1F
InChIInChI=1S/C15H10ClF2IN2/c1-8-2-4-10(17)15(14(8)18)21-12-5-3-9(19)6-11(12)20-13(21)7-16/h2-6H,7H2,1H3
InChIKeyIERKGMGCKLNCTL-UHFFFAOYSA-N
XLogP4.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 54.96
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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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole (CID 82801034) is 2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole is Cc1ccc(F)c(-n2c(CCl)nc3cc(I)ccc32)c1F.
What is the InChIKey of 2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole?
The InChIKey is IERKGMGCKLNCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2IN2/c1-8-2-4-10(17)15(14(8)18)21-12-5-3-9(19)6-11(12)20-13(21)7-16/h2-6H,7H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole?
2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole has a molecular weight of 418.61 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole is sourced from PubChem (CID 82801034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).