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

C29H23FN4O2 — CID 45272819

IUPAC[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1
InChIInChI=1S/C29H23FN4O2/c30-20-11-13-21(14-12-20)36-27-18-25-24(32-28(33-25)23-9-4-5-15-31-23)17-22(27)26-10-6-16-34(26)29(35)19-7-2-1-3-8-19/h1-5,7-9,11-15,17-18,26H,6,10,16H2,(H,32,33)
InChIKeyFZXYPRQEWNRMAC-UHFFFAOYSA-N
MW478.53 g/mol
LogP6.53
Rot. Bonds5

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

[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 45272819) has the molecular formula C29H23FN4O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is [2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID45272819
Molecular FormulaC29H23FN4O2
Molecular Weight478.53 g/mol
Exact Mass478.18
IUPAC Name[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1
InChIInChI=1S/C29H23FN4O2/c30-20-11-13-21(14-12-20)36-27-18-25-24(32-28(33-25)23-9-4-5-15-31-23)17-22(27)26-10-6-16-34(26)29(35)19-7-2-1-3-8-19/h1-5,7-9,11-15,17-18,26H,6,10,16H2,(H,32,33)
InChIKeyFZXYPRQEWNRMAC-UHFFFAOYSA-N
XLogP6.53
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.53
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone (CID 45272819) is [2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1.
What is the InChIKey of [2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is FZXYPRQEWNRMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN4O2/c30-20-11-13-21(14-12-20)36-27-18-25-24(32-28(33-25)23-9-4-5-15-31-23)17-22(27)26-10-6-16-34(26)29(35)19-7-2-1-3-8-19/h1-5,7-9,11-15,17-18,26H,6,10,16H2,(H,32,33).
What are the key properties of [2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone?
[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 478.53 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 45272819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).