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

C24H16N4O2 — CID 59326828

IUPAC1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2-c2cccnc2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H16N4O2/c29-22(23-27-20-7-1-2-8-21(20)28-23)16-9-11-18(12-10-16)30-24-19(6-4-14-26-24)17-5-3-13-25-15-17/h1-15H,(H,27,28)
InChIKeyRSKNLGXYHGTAMA-UHFFFAOYSA-N
MW392.42 g/mol
LogP5.04
Rot. Bonds5

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

1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone (PubChem CID 59326828) has the molecular formula C24H16N4O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone
PubChem CID59326828
Molecular FormulaC24H16N4O2
Molecular Weight392.42 g/mol
Exact Mass392.13
IUPAC Name1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2-c2cccnc2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H16N4O2/c29-22(23-27-20-7-1-2-8-21(20)28-23)16-9-11-18(12-10-16)30-24-19(6-4-14-26-24)17-5-3-13-25-15-17/h1-15H,(H,27,28)
InChIKeyRSKNLGXYHGTAMA-UHFFFAOYSA-N
XLogP5.04
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone (CID 59326828) is 1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2-c2cccnc2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone?
The InChIKey is RSKNLGXYHGTAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O2/c29-22(23-27-20-7-1-2-8-21(20)28-23)16-9-11-18(12-10-16)30-24-19(6-4-14-26-24)17-5-3-13-25-15-17/h1-15H,(H,27,28).
What are the key properties of 1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone has a molecular weight of 392.42 g/mol, XLogP of 5.04, 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-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone is sourced from PubChem (CID 59326828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).