1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

C27H23N3O3 — CID 108585225

IUPAC1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C27H23N3O3/c1-17-8-7-11-19(16-17)24-23(22(31)15-14-18-9-3-2-4-10-18)25(32)26(33)30(24)27-28-20-12-5-6-13-21(20)29-27/h2-13,16,24,32H,14-15H2,1H3,(H,28,29)
InChIKeyFKRUEHBCRTWZQG-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.97
Rot. Bonds6

About 1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108585225) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
PubChem CID108585225
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C27H23N3O3/c1-17-8-7-11-19(16-17)24-23(22(31)15-14-18-9-3-2-4-10-18)25(32)26(33)30(24)27-28-20-12-5-6-13-21(20)29-27/h2-13,16,24,32H,14-15H2,1H3,(H,28,29)
InChIKeyFKRUEHBCRTWZQG-UHFFFAOYSA-N
XLogP4.97
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-hydroxy-2-(3-methylphenyl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]-3H-benzimidazole-5-carboxylic acid
CID 108715343
2-[4-(dimethylamino)phenyl]-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108707544
1-(1H-benzimidazol-2-yl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592594
4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108713185
4-hydroxy-2-(3-methylphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108713011
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-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108609864
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108619873
4-hydroxy-1-(3-methoxypropyl)-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108619786
4-hydroxy-2-(3-hydroxyphenyl)-1-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647487
4-hydroxy-2-(3-methoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108700121
4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108618307

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (CID 108585225) is 1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is Cc1cccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is FKRUEHBCRTWZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-17-8-7-11-19(16-17)24-23(22(31)15-14-18-9-3-2-4-10-18)25(32)26(33)30(24)27-28-20-12-5-6-13-21(20)29-27/h2-13,16,24,32H,14-15H2,1H3,(H,28,29).
What are the key properties of 1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 437.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108585225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).