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

C23H20FN5O2 — CID 23145349

IUPAC2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1
InChIInChI=1S/C23H20FN5O2/c24-14-6-8-15(9-7-14)31-21-13-19-18(27-22(28-19)17-4-1-2-10-26-17)12-16(21)20-5-3-11-29(20)23(25)30/h1-2,4,6-10,12-13,20H,3,5,11H2,(H2,25,30)(H,27,28)
InChIKeyYCQWQBCYIFTIIK-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.77
Rot. Bonds4

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

2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 23145349) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID23145349
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1
InChIInChI=1S/C23H20FN5O2/c24-14-6-8-15(9-7-14)31-21-13-19-18(27-22(28-19)17-4-1-2-10-26-17)12-16(21)20-5-3-11-29(20)23(25)30/h1-2,4,6-10,12-13,20H,3,5,11H2,(H2,25,30)(H,27,28)
InChIKeyYCQWQBCYIFTIIK-UHFFFAOYSA-N
XLogP4.77
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide (CID 23145349) is 2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide is NC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1.
What is the InChIKey of 2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is YCQWQBCYIFTIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-14-6-8-15(9-7-14)31-21-13-19-18(27-22(28-19)17-4-1-2-10-26-17)12-16(21)20-5-3-11-29(20)23(25)30/h1-2,4,6-10,12-13,20H,3,5,11H2,(H2,25,30)(H,27,28).
What are the key properties of 2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide?
2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 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]pyrrolidine-1-carboxamide is sourced from PubChem (CID 23145349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).