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

C22H24N4O3 — CID 67477462

IUPAC1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCC(Oc2ncccc2C2CCOCC2)C1
InChIInChI=1S/C22H24N4O3/c27-22(20-24-18-5-1-2-6-19(18)25-20)26-11-7-16(14-26)29-21-17(4-3-10-23-21)15-8-12-28-13-9-15/h1-6,10,15-16H,7-9,11-14H2,(H,24,25)
InChIKeyAFEIQIPWXWPMMW-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.15
Rot. Bonds4

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

1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone (PubChem CID 67477462) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
PubChem CID67477462
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCC(Oc2ncccc2C2CCOCC2)C1
InChIInChI=1S/C22H24N4O3/c27-22(20-24-18-5-1-2-6-19(18)25-20)26-11-7-16(14-26)29-21-17(4-3-10-23-21)15-8-12-28-13-9-15/h1-6,10,15-16H,7-9,11-14H2,(H,24,25)
InChIKeyAFEIQIPWXWPMMW-UHFFFAOYSA-N
XLogP3.15
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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CID 45077903
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1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
CID 58547694
3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one
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1H-benzimidazol-2-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 86694195
[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91914180
1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 58547341
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
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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]pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone (CID 67477462) is 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CCC(Oc2ncccc2C2CCOCC2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The InChIKey is AFEIQIPWXWPMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-22(20-24-18-5-1-2-6-19(18)25-20)26-11-7-16(14-26)29-21-17(4-3-10-23-21)15-8-12-28-13-9-15/h1-6,10,15-16H,7-9,11-14H2,(H,24,25).
What are the key properties of 1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 3.15, 4 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]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 67477462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).