1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone

C46H38N6O6 — CID 67427125

IUPAC1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2[C@@H]2CCCO2)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2ncccc2[C@H]2CCCO2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/2C23H19N3O3/c2*27-21(22-25-18-6-1-2-7-19(18)26-22)15-9-11-16(12-10-15)29-23-17(5-3-13-24-23)20-8-4-14-28-20/h2*1-3,5-7,9-13,20H,4,8,14H2,(H,25,26)/t2*20-/m10/s1
InChIKeyVATXAJZQZPHUHS-ZCLATKBISA-N
MW770.85 g/mol
LogP9.67
Rot. Bonds10

About 1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone

1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 67427125) has the molecular formula C46H38N6O6 and a molecular weight of 770.85 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone
PubChem CID67427125
Molecular FormulaC46H38N6O6
Molecular Weight770.85 g/mol
Exact Mass770.29
IUPAC Name1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2[C@@H]2CCCO2)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2ncccc2[C@H]2CCCO2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/2C23H19N3O3/c2*27-21(22-25-18-6-1-2-7-19(18)26-22)15-9-11-16(12-10-15)29-23-17(5-3-13-24-23)20-8-4-14-28-20/h2*1-3,5-7,9-13,20H,4,8,14H2,(H,25,26)/t2*20-/m10/s1
InChIKeyVATXAJZQZPHUHS-ZCLATKBISA-N
XLogP9.67
TPSA154.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.85
LogP ≤ 59.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone (CID 67427125) is 1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2[C@@H]2CCCO2)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2ncccc2[C@H]2CCCO2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is VATXAJZQZPHUHS-ZCLATKBISA-N. The full InChI is InChI=1S/2C23H19N3O3/c2*27-21(22-25-18-6-1-2-7-19(18)26-22)15-9-11-16(12-10-15)29-23-17(5-3-13-24-23)20-8-4-14-28-20/h2*1-3,5-7,9-13,20H,4,8,14H2,(H,25,26)/t2*20-/m10/s1.
What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 770.85 g/mol, XLogP of 9.67, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[[3-[(2R)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[[3-[(2S)-oxolan-2-yl]-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 67427125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).