1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C23H15F2N3O4 — CID 58286130

IUPAC1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)C2c2cc(F)ccc2F)o1
InChIInChI=1S/C23H15F2N3O4/c1-11-6-9-17(32-11)20(29)18-19(13-10-12(24)7-8-14(13)25)28(22(31)21(18)30)23-26-15-4-2-3-5-16(15)27-23/h2-10,19,30H,1H3,(H,26,27)
InChIKeyGAPSOJCUHJZFOH-UHFFFAOYSA-N
MW435.39 g/mol
LogP4.53
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 58286130) has the molecular formula C23H15F2N3O4 and a molecular weight of 435.39 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID58286130
Molecular FormulaC23H15F2N3O4
Molecular Weight435.39 g/mol
Exact Mass435.10
IUPAC Name1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)C2c2cc(F)ccc2F)o1
InChIInChI=1S/C23H15F2N3O4/c1-11-6-9-17(32-11)20(29)18-19(13-10-12(24)7-8-14(13)25)28(22(31)21(18)30)23-26-15-4-2-3-5-16(15)27-23/h2-10,19,30H,1H3,(H,26,27)
InChIKeyGAPSOJCUHJZFOH-UHFFFAOYSA-N
XLogP4.53
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one 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 1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 58286130) is 1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)C2c2cc(F)ccc2F)o1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is GAPSOJCUHJZFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O4/c1-11-6-9-17(32-11)20(29)18-19(13-10-12(24)7-8-14(13)25)28(22(31)21(18)30)23-26-15-4-2-3-5-16(15)27-23/h2-10,19,30H,1H3,(H,26,27).
What are the key properties of 1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 435.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-2-(2,5-difluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 58286130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).