1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione

C18H13N3O4 — CID 19354480

IUPAC1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione
SMILESO=C(c1ccc(N2C(=O)CC(O)C2=O)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H13N3O4/c22-14-9-15(23)21(18(14)25)11-7-5-10(6-8-11)16(24)17-19-12-3-1-2-4-13(12)20-17/h1-8,14,22H,9H2,(H,19,20)
InChIKeyFQKLDETZIQJXBY-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.42
Rot. Bonds3

About 1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione

1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione (PubChem CID 19354480) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione
PubChem CID19354480
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC Name1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione
SMILESO=C(c1ccc(N2C(=O)CC(O)C2=O)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H13N3O4/c22-14-9-15(23)21(18(14)25)11-7-5-10(6-8-11)16(24)17-19-12-3-1-2-4-13(12)20-17/h1-8,14,22H,9H2,(H,19,20)
InChIKeyFQKLDETZIQJXBY-UHFFFAOYSA-N
XLogP1.42
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one
CID 163510685
(6-hydroxy-1H-benzimidazol-2-yl)-phenylmethanone
CID 13162244
(3S)-1-(4-acetylphenyl)-3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]pyrrolidine-2,5-dione
CID 26182928
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone
CID 13162273
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2950022
[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
CID 45488171
1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone
CID 143998449
(3S)-3-[6-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3,4-dihydropyridin-5-yl]cyclopentan-1-one
CID 70889230
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione (CID 19354480) is 1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione is O=C(c1ccc(N2C(=O)CC(O)C2=O)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione?
The InChIKey is FQKLDETZIQJXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-14-9-15(23)21(18(14)25)11-7-5-10(6-8-11)16(24)17-19-12-3-1-2-4-13(12)20-17/h1-8,14,22H,9H2,(H,19,20).
What are the key properties of 1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione?
1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione has a molecular weight of 335.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 19354480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).