1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone

C22H23N3O3 — CID 58548604

IUPAC1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)C1CC(Oc2ncccc2C2CCOCC2)C1
InChIInChI=1S/C22H23N3O3/c26-20(21-24-18-5-1-2-6-19(18)25-21)15-12-16(13-15)28-22-17(4-3-9-23-22)14-7-10-27-11-8-14/h1-6,9,14-16H,7-8,10-13H2,(H,24,25)
InChIKeySQRWINXDRWVJEP-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.89
Rot. Bonds5

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

1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone (PubChem CID 58548604) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone
PubChem CID58548604
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)C1CC(Oc2ncccc2C2CCOCC2)C1
InChIInChI=1S/C22H23N3O3/c26-20(21-24-18-5-1-2-6-19(18)25-21)15-12-16(13-15)28-22-17(4-3-9-23-22)14-7-10-27-11-8-14/h1-6,9,14-16H,7-8,10-13H2,(H,24,25)
InChIKeySQRWINXDRWVJEP-UHFFFAOYSA-N
XLogP3.89
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.89
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-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone (CID 58548604) is 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone is O=C(c1nc2ccccc2[nH]1)C1CC(Oc2ncccc2C2CCOCC2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone?
The InChIKey is SQRWINXDRWVJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-20(21-24-18-5-1-2-6-19(18)25-21)15-12-16(13-15)28-22-17(4-3-9-23-22)14-7-10-27-11-8-14/h1-6,9,14-16H,7-8,10-13H2,(H,24,25).
What are the key properties of 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone?
1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone has a molecular weight of 377.44 g/mol, XLogP of 3.89, 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-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone is sourced from PubChem (CID 58548604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).