1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone

C24H15FN4O2 — CID 59326971

IUPAC1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2-c2cccnc2F)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H15FN4O2/c25-22-17(5-3-13-26-22)18-6-4-14-27-24(18)31-16-11-9-15(10-12-16)21(30)23-28-19-7-1-2-8-20(19)29-23/h1-14H,(H,28,29)
InChIKeyVCIKAYPSCGIWBO-UHFFFAOYSA-N
MW410.41 g/mol
LogP5.18
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone

1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326971) has the molecular formula C24H15FN4O2 and a molecular weight of 410.41 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59326971
Molecular FormulaC24H15FN4O2
Molecular Weight410.41 g/mol
Exact Mass410.12
IUPAC Name1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2-c2cccnc2F)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H15FN4O2/c25-22-17(5-3-13-26-22)18-6-4-14-27-24(18)31-16-11-9-15(10-12-16)21(30)23-28-19-7-1-2-8-20(19)29-23/h1-14H,(H,28,29)
InChIKeyVCIKAYPSCGIWBO-UHFFFAOYSA-N
XLogP5.18
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.41
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone (CID 59326971) is 1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2-c2cccnc2F)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is VCIKAYPSCGIWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN4O2/c25-22-17(5-3-13-26-22)18-6-4-14-27-24(18)31-16-11-9-15(10-12-16)21(30)23-28-19-7-1-2-8-20(19)29-23/h1-14H,(H,28,29).
What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 410.41 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).