1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one

C27H19N5O3S — CID 108592620

IUPAC1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)C1c1cccnc1
InChIInChI=1S/C27H19N5O3S/c1-15-24(36-25(29-15)16-8-3-2-4-9-16)22(33)20-21(17-10-7-13-28-14-17)32(26(35)23(20)34)27-30-18-11-5-6-12-19(18)31-27/h2-14,21,34H,1H3,(H,30,31)
InChIKeyGACCAZQYROODMB-UHFFFAOYSA-N
MW493.55 g/mol
LogP5.17
Rot. Bonds5

About 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one

1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108592620) has the molecular formula C27H19N5O3S and a molecular weight of 493.55 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108592620
Molecular FormulaC27H19N5O3S
Molecular Weight493.55 g/mol
Exact Mass493.12
IUPAC Name1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)C1c1cccnc1
InChIInChI=1S/C27H19N5O3S/c1-15-24(36-25(29-15)16-8-3-2-4-9-16)22(33)20-21(17-10-7-13-28-14-17)32(26(35)23(20)34)27-30-18-11-5-6-12-19(18)31-27/h2-14,21,34H,1H3,(H,30,31)
InChIKeyGACCAZQYROODMB-UHFFFAOYSA-N
XLogP5.17
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.55
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592186
ethyl 2-[4-[4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]phenyl]acetate
CID 108673097
4-hydroxy-1-(2-methylphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108639602
1-(1H-benzimidazol-2-yl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108609889
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626227
1-(4-chlorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108639001
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592657
2-(4-tert-butylphenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-phenyl-2H-pyrrol-5-one
CID 108585621
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108618838
1-(3-chlorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108633445

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108592620) is 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one is Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)C1c1cccnc1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is GACCAZQYROODMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O3S/c1-15-24(36-25(29-15)16-8-3-2-4-9-16)22(33)20-21(17-10-7-13-28-14-17)32(26(35)23(20)34)27-30-18-11-5-6-12-19(18)31-27/h2-14,21,34H,1H3,(H,30,31).
What are the key properties of 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 493.55 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108592620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).