4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol

C23H18F2N4O — CID 142663275

IUPAC4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol
SMILESCCn1c(Cn2c(-c3ccc(O)c(F)c3)nc3ccccc32)nc2cc(F)ccc21
InChIInChI=1S/C23H18F2N4O/c1-2-28-20-9-8-15(24)12-18(20)26-22(28)13-29-19-6-4-3-5-17(19)27-23(29)14-7-10-21(30)16(25)11-14/h3-12,30H,2,13H2,1H3
InChIKeyBPDOFEZTSFXTNJ-UHFFFAOYSA-N
MW404.42 g/mol
LogP5.11
Rot. Bonds4

About 4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol

4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol (PubChem CID 142663275) has the molecular formula C23H18F2N4O and a molecular weight of 404.42 g/mol. Its IUPAC name is 4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol
PubChem CID142663275
Molecular FormulaC23H18F2N4O
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol
SMILESCCn1c(Cn2c(-c3ccc(O)c(F)c3)nc3ccccc32)nc2cc(F)ccc21
InChIInChI=1S/C23H18F2N4O/c1-2-28-20-9-8-15(24)12-18(20)26-22(28)13-29-19-6-4-3-5-17(19)27-23(29)14-7-10-21(30)16(25)11-14/h3-12,30H,2,13H2,1H3
InChIKeyBPDOFEZTSFXTNJ-UHFFFAOYSA-N
XLogP5.11
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol?
The IUPAC name of 4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol (CID 142663275) is 4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol.
What is the SMILES notation for 4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol?
The canonical SMILES for 4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol is CCn1c(Cn2c(-c3ccc(O)c(F)c3)nc3ccccc32)nc2cc(F)ccc21.
What is the InChIKey of 4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol?
The InChIKey is BPDOFEZTSFXTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O/c1-2-28-20-9-8-15(24)12-18(20)26-22(28)13-29-19-6-4-3-5-17(19)27-23(29)14-7-10-21(30)16(25)11-14/h3-12,30H,2,13H2,1H3.
What are the key properties of 4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol?
4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol has a molecular weight of 404.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]benzimidazol-2-yl]-2-fluorophenol is sourced from PubChem (CID 142663275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).