1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide

C15H15F2IN2 — CID 172813329

IUPAC1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide
SMILESCCN1CN(c2ccc(F)cc2F)c2ccccc21.I
InChIInChI=1S/C15H14F2N2.HI/c1-2-18-10-19(15-6-4-3-5-14(15)18)13-8-7-11(16)9-12(13)17;/h3-9H,2,10H2,1H3;1H
InChIKeySMEMLMLAJHESKP-UHFFFAOYSA-N
MW388.20 g/mol
LogP4.52
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide

1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide (PubChem CID 172813329) has the molecular formula C15H15F2IN2 and a molecular weight of 388.20 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide
PubChem CID172813329
Molecular FormulaC15H15F2IN2
Molecular Weight388.20 g/mol
Exact Mass388.02
IUPAC Name1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide
SMILESCCN1CN(c2ccc(F)cc2F)c2ccccc21.I
InChIInChI=1S/C15H14F2N2.HI/c1-2-18-10-19(15-6-4-3-5-14(15)18)13-8-7-11(16)9-12(13)17;/h3-9H,2,10H2,1H3;1H
InChIKeySMEMLMLAJHESKP-UHFFFAOYSA-N
XLogP4.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(2,4-difluorophenyl)-2H-benzimidazole
CID 140808133
bis(1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole);iridium(3+);pyridine-2-carboxylate
CID 172806205
bis(1-(2,4-difluorophenyl)-3-methyl-2H-benzimidazole);iridium(3+);pyridine-2-carboxylate
CID 172687758
1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957820
1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole
CID 140748856
2-(2,4-difluorophenyl)isoindole
CID 19820193
4-benzyl-1-(2,4-difluorophenyl)-3-methylpiperazin-2-one
CID 24716306
2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one
CID 43084354
1-(2,4-difluorophenyl)pyrrolidin-2-imine
CID 4007146
1-(4-chlorobutyl)-3-ethyl-2H-benzimidazole
CID 174253153
1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline
CID 63778948
1-(2,4-difluorophenyl)-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64957751

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide?
The IUPAC name of 1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide (CID 172813329) is 1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide is CCN1CN(c2ccc(F)cc2F)c2ccccc21.I.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide?
The InChIKey is SMEMLMLAJHESKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2.HI/c1-2-18-10-19(15-6-4-3-5-14(15)18)13-8-7-11(16)9-12(13)17;/h3-9H,2,10H2,1H3;1H.
What are the key properties of 1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide?
1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide has a molecular weight of 388.20 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide is sourced from PubChem (CID 172813329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).