2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide

C33H25FN4O3 — CID 71295663

IUPAC2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3=O)c(-c3ccc4ncn(-c5ccccc5)c4c3)cc12
InChIInChI=1S/C33H25FN4O3/c1-35-33(40)31-25-17-24(21-11-14-26-28(16-21)38(19-36-26)23-6-3-2-4-7-23)27(37-15-5-8-30(37)39)18-29(25)41-32(31)20-9-12-22(34)13-10-20/h2-4,6-7,9-14,16-19H,5,8,15H2,1H3,(H,35,40)
InChIKeyRGXRXLWQOXZFTE-UHFFFAOYSA-N
MW544.59 g/mol
LogP6.73
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide (PubChem CID 71295663) has the molecular formula C33H25FN4O3 and a molecular weight of 544.59 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide
PubChem CID71295663
Molecular FormulaC33H25FN4O3
Molecular Weight544.59 g/mol
Exact Mass544.19
IUPAC Name2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3=O)c(-c3ccc4ncn(-c5ccccc5)c4c3)cc12
InChIInChI=1S/C33H25FN4O3/c1-35-33(40)31-25-17-24(21-11-14-26-28(16-21)38(19-36-26)23-6-3-2-4-7-23)27(37-15-5-8-30(37)39)18-29(25)41-32(31)20-9-12-22(34)13-10-20/h2-4,6-7,9-14,16-19H,5,8,15H2,1H3,(H,35,40)
InChIKeyRGXRXLWQOXZFTE-UHFFFAOYSA-N
XLogP6.73
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.59
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide (CID 71295663) is 2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3=O)c(-c3ccc4ncn(-c5ccccc5)c4c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide?
The InChIKey is RGXRXLWQOXZFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25FN4O3/c1-35-33(40)31-25-17-24(21-11-14-26-28(16-21)38(19-36-26)23-6-3-2-4-7-23)27(37-15-5-8-30(37)39)18-29(25)41-32(31)20-9-12-22(34)13-10-20/h2-4,6-7,9-14,16-19H,5,8,15H2,1H3,(H,35,40).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide has a molecular weight of 544.59 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71295663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).