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

C23H19N3O3 — CID 59326781

IUPAC1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2[C@@H]2CCOC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H19N3O3/c27-21(22-25-19-5-1-2-6-20(19)26-22)15-7-9-17(10-8-15)29-23-18(4-3-12-24-23)16-11-13-28-14-16/h1-10,12,16H,11,13-14H2,(H,25,26)/t16-/m1/s1
InChIKeyRLULHYKXDSLNFG-MRXNPFEDSA-N
MW385.42 g/mol
LogP4.49
Rot. Bonds5

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

1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326781) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59326781
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2[C@@H]2CCOC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H19N3O3/c27-21(22-25-19-5-1-2-6-20(19)26-22)15-7-9-17(10-8-15)29-23-18(4-3-12-24-23)16-11-13-28-14-16/h1-10,12,16H,11,13-14H2,(H,25,26)/t16-/m1/s1
InChIKeyRLULHYKXDSLNFG-MRXNPFEDSA-N
XLogP4.49
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.49
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-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone (CID 59326781) is 1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2[C@@H]2CCOC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is RLULHYKXDSLNFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-21(22-25-19-5-1-2-6-20(19)26-22)15-7-9-17(10-8-15)29-23-18(4-3-12-24-23)16-11-13-28-14-16/h1-10,12,16H,11,13-14H2,(H,25,26)/t16-/m1/s1.
What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 385.42 g/mol, XLogP of 4.49, 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-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).