1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one

C25H15ClN4O4 — CID 108590613

IUPAC1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)C1c1ccccn1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C25H15ClN4O4/c26-14-8-9-18-13(11-14)12-19(34-18)22(31)20-21(17-7-3-4-10-27-17)30(24(33)23(20)32)25-28-15-5-1-2-6-16(15)29-25/h1-12,21,32H,(H,28,29)
InChIKeyGTVDRQWAZZBZBU-UHFFFAOYSA-N
MW470.87 g/mol
LogP5.14
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one

1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108590613) has the molecular formula C25H15ClN4O4 and a molecular weight of 470.87 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108590613
Molecular FormulaC25H15ClN4O4
Molecular Weight470.87 g/mol
Exact Mass470.08
IUPAC Name1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)C1c1ccccn1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C25H15ClN4O4/c26-14-8-9-18-13(11-14)12-19(34-18)22(31)20-21(17-7-3-4-10-27-17)30(24(33)23(20)32)25-28-15-5-1-2-6-16(15)29-25/h1-12,21,32H,(H,28,29)
InChIKeyGTVDRQWAZZBZBU-UHFFFAOYSA-N
XLogP5.14
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.87
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108723848
1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108588701
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589136
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626045
1-(1H-benzimidazol-2-yl)-3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108657514
1-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108657469
propan-2-yl 4-[3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]benzoate
CID 108672393
1-(1H-benzimidazol-2-yl)-4-hydroxy-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108590595
1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108590594
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108625004
3-(5-chloro-1-benzofuran-2-carbonyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-5-one
CID 108707719
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-naphthalen-1-yl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589876

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108590613) is 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)C1c1ccccn1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is GTVDRQWAZZBZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClN4O4/c26-14-8-9-18-13(11-14)12-19(34-18)22(31)20-21(17-7-3-4-10-27-17)30(24(33)23(20)32)25-28-15-5-1-2-6-16(15)29-25/h1-12,21,32H,(H,28,29).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 470.87 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108590613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).