1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone

C27H25N3O3 — CID 59326969

IUPAC1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2C2CCC3(CCO3)CC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C27H25N3O3/c31-24(25-29-22-5-1-2-6-23(22)30-25)19-7-9-20(10-8-19)33-26-21(4-3-16-28-26)18-11-13-27(14-12-18)15-17-32-27/h1-10,16,18H,11-15,17H2,(H,29,30)
InChIKeyHBWYRNFYBWCJIC-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.80
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone

1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326969) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59326969
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2C2CCC3(CCO3)CC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C27H25N3O3/c31-24(25-29-22-5-1-2-6-23(22)30-25)19-7-9-20(10-8-19)33-26-21(4-3-16-28-26)18-11-13-27(14-12-18)15-17-32-27/h1-10,16,18H,11-15,17H2,(H,29,30)
InChIKeyHBWYRNFYBWCJIC-UHFFFAOYSA-N
XLogP5.80
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone (CID 59326969) is 1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2C2CCC3(CCO3)CC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is HBWYRNFYBWCJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-24(25-29-22-5-1-2-6-23(22)30-25)19-7-9-20(10-8-19)33-26-21(4-3-16-28-26)18-11-13-27(14-12-18)15-17-32-27/h1-10,16,18H,11-15,17H2,(H,29,30).
What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[3-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 439.52 g/mol, XLogP of 5.80, 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-(1-oxaspiro[3.5]nonan-7-yl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).