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

C25H24FN5O2 — CID 45269441

IUPACN-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1
InChIInChI=1S/C25H24FN5O2/c1-2-27-25(32)31-13-5-7-22(31)18-14-20-21(30-24(29-20)19-6-3-4-12-28-19)15-23(18)33-17-10-8-16(26)9-11-17/h3-4,6,8-12,14-15,22H,2,5,7,13H2,1H3,(H,27,32)(H,29,30)
InChIKeyGIMOWYWHWAUYLT-UHFFFAOYSA-N
MW445.50 g/mol
LogP5.42
Rot. Bonds5

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

N-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 45269441) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID45269441
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1
InChIInChI=1S/C25H24FN5O2/c1-2-27-25(32)31-13-5-7-22(31)18-14-20-21(30-24(29-20)19-6-3-4-12-28-19)15-23(18)33-17-10-8-16(26)9-11-17/h3-4,6,8-12,14-15,22H,2,5,7,13H2,1H3,(H,27,32)(H,29,30)
InChIKeyGIMOWYWHWAUYLT-UHFFFAOYSA-N
XLogP5.42
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.50
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide (CID 45269441) is N-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide is CCNC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is GIMOWYWHWAUYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-2-27-25(32)31-13-5-7-22(31)18-14-20-21(30-24(29-20)19-6-3-4-12-28-19)15-23(18)33-17-10-8-16(26)9-11-17/h3-4,6,8-12,14-15,22H,2,5,7,13H2,1H3,(H,27,32)(H,29,30).
What are the key properties of N-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide?
N-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 45269441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).