1,3-bis(2,4-difluorophenyl)-2H-benzimidazole

C19H12F4N2 — CID 140808133

IUPAC1,3-bis(2,4-difluorophenyl)-2H-benzimidazole
SMILESFc1ccc(N2CN(c3ccc(F)cc3F)c3ccccc32)c(F)c1
InChIInChI=1S/C19H12F4N2/c20-12-5-7-16(14(22)9-12)24-11-25(19-4-2-1-3-18(19)24)17-8-6-13(21)10-15(17)23/h1-10H,11H2
InChIKeyZPHZNHXDUJRERX-UHFFFAOYSA-N
MW344.31 g/mol
LogP5.49
Rot. Bonds2

About 1,3-bis(2,4-difluorophenyl)-2H-benzimidazole

1,3-bis(2,4-difluorophenyl)-2H-benzimidazole (PubChem CID 140808133) has the molecular formula C19H12F4N2 and a molecular weight of 344.31 g/mol. Its IUPAC name is 1,3-bis(2,4-difluorophenyl)-2H-benzimidazole.

Molecular Properties

Compound Name1,3-bis(2,4-difluorophenyl)-2H-benzimidazole
PubChem CID140808133
Molecular FormulaC19H12F4N2
Molecular Weight344.31 g/mol
Exact Mass344.09
IUPAC Name1,3-bis(2,4-difluorophenyl)-2H-benzimidazole
SMILESFc1ccc(N2CN(c3ccc(F)cc3F)c3ccccc32)c(F)c1
InChIInChI=1S/C19H12F4N2/c20-12-5-7-16(14(22)9-12)24-11-25(19-4-2-1-3-18(19)24)17-8-6-13(21)10-15(17)23/h1-10H,11H2
InChIKeyZPHZNHXDUJRERX-UHFFFAOYSA-N
XLogP5.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.31
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole;hydroiodide
CID 172813329
bis(1-(2,4-difluorophenyl)-3-methyl-2H-benzimidazole);iridium(3+);pyridine-2-carboxylate
CID 172687758
1-fluoro-3-(2-fluorophenyl)-2H-benzimidazole
CID 140748856
2-(2,4-difluorophenyl)isoindole
CID 19820193
bis(1-(2,4-difluorophenyl)-3-ethyl-2H-benzimidazole);iridium(3+);pyridine-2-carboxylate
CID 172806205
1-(2,4-difluorophenyl)pyrrolidin-2-imine
CID 4007146
1-(2,4-difluorophenyl)piperazin-4-ium
CID 7004236
4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 168689348
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
1-(2,4-difluorophenyl)-4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)pyrrolidin-2-one
CID 55623585
4-benzyl-1-(2,4-difluorophenyl)-3-methylpiperazin-2-one
CID 24716306
3-bromo-1-(2,4-difluorophenyl)-4-iminopiperidin-2-one
CID 123488865

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4-difluorophenyl)-2H-benzimidazole?
The IUPAC name of 1,3-bis(2,4-difluorophenyl)-2H-benzimidazole (CID 140808133) is 1,3-bis(2,4-difluorophenyl)-2H-benzimidazole.
What is the SMILES notation for 1,3-bis(2,4-difluorophenyl)-2H-benzimidazole?
The canonical SMILES for 1,3-bis(2,4-difluorophenyl)-2H-benzimidazole is Fc1ccc(N2CN(c3ccc(F)cc3F)c3ccccc32)c(F)c1.
What is the InChIKey of 1,3-bis(2,4-difluorophenyl)-2H-benzimidazole?
The InChIKey is ZPHZNHXDUJRERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N2/c20-12-5-7-16(14(22)9-12)24-11-25(19-4-2-1-3-18(19)24)17-8-6-13(21)10-15(17)23/h1-10H,11H2.
What are the key properties of 1,3-bis(2,4-difluorophenyl)-2H-benzimidazole?
1,3-bis(2,4-difluorophenyl)-2H-benzimidazole has a molecular weight of 344.31 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4-difluorophenyl)-2H-benzimidazole is sourced from PubChem (CID 140808133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).