1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone

C22H22FN3O3 — CID 58548552

IUPAC1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)C1CC(Oc2ncc(F)cc2C2CCOCC2)C1
InChIInChI=1S/C22H22FN3O3/c23-15-11-17(13-5-7-28-8-6-13)22(24-12-15)29-16-9-14(10-16)20(27)21-25-18-3-1-2-4-19(18)26-21/h1-4,11-14,16H,5-10H2,(H,25,26)
InChIKeyQDONPHUSXKVLFE-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.03
Rot. Bonds5

About 1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone

1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone (PubChem CID 58548552) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone
PubChem CID58548552
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)C1CC(Oc2ncc(F)cc2C2CCOCC2)C1
InChIInChI=1S/C22H22FN3O3/c23-15-11-17(13-5-7-28-8-6-13)22(24-12-15)29-16-9-14(10-16)20(27)21-25-18-3-1-2-4-19(18)26-21/h1-4,11-14,16H,5-10H2,(H,25,26)
InChIKeyQDONPHUSXKVLFE-UHFFFAOYSA-N
XLogP4.03
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone with MolForge

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Related Compounds

[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
CID 140572023
1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 67477462
1H-benzimidazol-2-yl(piperidin-4-yl)methanone
CID 18333277
1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58547887
3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
CID 58548534
1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 41273796
5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid
CID 118394075
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587171
1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
CID 167892131
CID 158594074
CID 158594074
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
1H-benzimidazole-2-carbothioic S-acid
CID 19781386

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone (CID 58548552) is 1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone is O=C(c1nc2ccccc2[nH]1)C1CC(Oc2ncc(F)cc2C2CCOCC2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone?
The InChIKey is QDONPHUSXKVLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-15-11-17(13-5-7-28-8-6-13)22(24-12-15)29-16-9-14(10-16)20(27)21-25-18-3-1-2-4-19(18)26-21/h1-4,11-14,16H,5-10H2,(H,25,26).
What are the key properties of 1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone?
1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone has a molecular weight of 395.43 g/mol, XLogP of 4.03, 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-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone is sourced from PubChem (CID 58548552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).