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

C29H24FN5O2 — CID 23145259

IUPAC1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C29H24FN5O2/c1-18(36)35-14-6-10-27(35)21-15-25-26(34-29(33-25)24-9-4-5-13-31-24)16-28(21)37-19-11-12-23(32-17-19)20-7-2-3-8-22(20)30/h2-5,7-9,11-13,15-17,27H,6,10,14H2,1H3,(H,33,34)
InChIKeyQWMCKKWPKPTEII-UHFFFAOYSA-N
MW493.54 g/mol
LogP6.30
Rot. Bonds5

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

1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone (PubChem CID 23145259) has the molecular formula C29H24FN5O2 and a molecular weight of 493.54 g/mol. Its IUPAC name is 1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
PubChem CID23145259
Molecular FormulaC29H24FN5O2
Molecular Weight493.54 g/mol
Exact Mass493.19
IUPAC Name1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C29H24FN5O2/c1-18(36)35-14-6-10-27(35)21-15-25-26(34-29(33-25)24-9-4-5-13-31-24)16-28(21)37-19-11-12-23(32-17-19)20-7-2-3-8-22(20)30/h2-5,7-9,11-13,15-17,27H,6,10,14H2,1H3,(H,33,34)
InChIKeyQWMCKKWPKPTEII-UHFFFAOYSA-N
XLogP6.30
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.54
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone (CID 23145259) is 1-[2-[6-[[6-(2-fluorophenyl)-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-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(-c2ccccc2F)nc1.
What is the InChIKey of 1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is QWMCKKWPKPTEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O2/c1-18(36)35-14-6-10-27(35)21-15-25-26(34-29(33-25)24-9-4-5-13-31-24)16-28(21)37-19-11-12-23(32-17-19)20-7-2-3-8-22(20)30/h2-5,7-9,11-13,15-17,27H,6,10,14H2,1H3,(H,33,34).
What are the key properties of 1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?
1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 493.54 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 23145259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).