1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone

C25H23FN4O3 — CID 23145130

IUPAC1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1
InChIInChI=1S/C25H23FN4O3/c1-32-15-24(31)30-12-4-6-22(30)18-13-20-21(29-25(28-20)19-5-2-3-11-27-19)14-23(18)33-17-9-7-16(26)8-10-17/h2-3,5,7-11,13-14,22H,4,6,12,15H2,1H3,(H,28,29)
InChIKeyZFBLQEHTUURCLU-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.87
Rot. Bonds6

About 1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone

1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 23145130) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID23145130
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1
InChIInChI=1S/C25H23FN4O3/c1-32-15-24(31)30-12-4-6-22(30)18-13-20-21(29-25(28-20)19-5-2-3-11-27-19)14-23(18)33-17-9-7-16(26)8-10-17/h2-3,5,7-11,13-14,22H,4,6,12,15H2,1H3,(H,28,29)
InChIKeyZFBLQEHTUURCLU-UHFFFAOYSA-N
XLogP4.87
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone (CID 23145130) is 1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1.
What is the InChIKey of 1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is ZFBLQEHTUURCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-32-15-24(31)30-12-4-6-22(30)18-13-20-21(29-25(28-20)19-5-2-3-11-27-19)14-23(18)33-17-9-7-16(26)8-10-17/h2-3,5,7-11,13-14,22H,4,6,12,15H2,1H3,(H,28,29).
What are the key properties of 1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone?
1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 446.48 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 23145130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).