1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one

C20H18N4O3 — CID 108590594

IUPAC1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)C1c1ccccn1
InChIInChI=1S/C20H18N4O3/c1-11(2)17(25)15-16(14-9-5-6-10-21-14)24(19(27)18(15)26)20-22-12-7-3-4-8-13(12)23-20/h3-11,16,26H,1-2H3,(H,22,23)
InChIKeyNBTYPQRHYMCHOI-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.08
Rot. Bonds4

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

1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108590594) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108590594
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)C1c1ccccn1
InChIInChI=1S/C20H18N4O3/c1-11(2)17(25)15-16(14-9-5-6-10-21-14)24(19(27)18(15)26)20-22-12-7-3-4-8-13(12)23-20/h3-11,16,26H,1-2H3,(H,22,23)
InChIKeyNBTYPQRHYMCHOI-UHFFFAOYSA-N
XLogP3.08
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-benzimidazol-2-yl)-4-hydroxy-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108590595
4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626200
4-hydroxy-1-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626548
4-hydroxy-1-(4-methylphenyl)-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626461
1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108590613
1-(1H-benzimidazol-2-yl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592594
1-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592592
4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108627331
1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108609864
4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625157
(4E)-1-(1H-benzimidazol-2-yl)-4-[(4-chloro-2,5-dimethoxyphenyl)-hydroxymethylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108590560
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625765

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108590594) is 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)C1c1ccccn1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is NBTYPQRHYMCHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-11(2)17(25)15-16(14-9-5-6-10-21-14)24(19(27)18(15)26)20-22-12-7-3-4-8-13(12)23-20/h3-11,16,26H,1-2H3,(H,22,23).
What are the key properties of 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 362.39 g/mol, XLogP of 3.08, 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)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108590594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).