1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone

C24H23N5O3 — CID 23145233

IUPAC1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(CO)nc1
InChIInChI=1S/C24H23N5O3/c1-15(31)29-10-4-6-22(29)18-11-20-21(28-24(27-20)19-5-2-3-9-25-19)12-23(18)32-17-8-7-16(14-30)26-13-17/h2-3,5,7-9,11-13,22,30H,4,6,10,14H2,1H3,(H,27,28)
InChIKeyLKFFNHIKDYYNNK-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.99
Rot. Bonds5

About 1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone

1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone (PubChem CID 23145233) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
PubChem CID23145233
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(CO)nc1
InChIInChI=1S/C24H23N5O3/c1-15(31)29-10-4-6-22(29)18-11-20-21(28-24(27-20)19-5-2-3-9-25-19)12-23(18)32-17-8-7-16(14-30)26-13-17/h2-3,5,7-9,11-13,22,30H,4,6,10,14H2,1H3,(H,27,28)
InChIKeyLKFFNHIKDYYNNK-UHFFFAOYSA-N
XLogP3.99
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145202
1-[2-[2-pyridin-2-yl-6-[4-(pyrrolidine-1-carbonyl)phenoxy]-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145126
3-[5-[[6-(1-acetylpyrrolidin-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 23145328
1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145517
1-[2-[6-(3-fluoro-4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145182
1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone
CID 44815643
1-[(2R,4R)-4-hydroxy-2-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 67482427
methyl 6-[6-(1-acetylpyrrolidin-2-yl)-5-(4-methylsulfonylphenoxy)-1H-benzimidazol-2-yl]pyridine-3-carboxylate
CID 23145539
1-[(2S,4S)-4-fluoro-2-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 67482526
1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone
CID 44815983
N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide
CID 46180879
1-[5-[[6-[(2R)-1-acetylpyrrolidin-2-yl]-2-pyrazin-2-yl-1H-indol-5-yl]oxy]-2-pyridinyl]butan-1-one
CID 149040417

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone (CID 23145233) is 1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(CO)nc1.
What is the InChIKey of 1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is LKFFNHIKDYYNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-15(31)29-10-4-6-22(29)18-11-20-21(28-24(27-20)19-5-2-3-9-25-19)12-23(18)32-17-8-7-16(14-30)26-13-17/h2-3,5,7-9,11-13,22,30H,4,6,10,14H2,1H3,(H,27,28).
What are the key properties of 1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?
1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 429.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 23145233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).