1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid

C15H17N3O3 — CID 106188800

IUPAC1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
SMILESCC(C)c1nc2c(C(=O)O)cccc2n1C1CNC(=O)C1
InChIInChI=1S/C15H17N3O3/c1-8(2)14-17-13-10(15(20)21)4-3-5-11(13)18(14)9-6-12(19)16-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyCOGAYHZVXPLWGM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.92
Rot. Bonds3

About 1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid

1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid (PubChem CID 106188800) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
PubChem CID106188800
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
SMILESCC(C)c1nc2c(C(=O)O)cccc2n1C1CNC(=O)C1
InChIInChI=1S/C15H17N3O3/c1-8(2)14-17-13-10(15(20)21)4-3-5-11(13)18(14)9-6-12(19)16-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyCOGAYHZVXPLWGM-UHFFFAOYSA-N
XLogP1.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dioxo-1-(5-oxopyrrolidin-3-yl)-4H-quinoxaline-5-carboxylic acid
CID 106189481
2-(1-chloroethyl)-1-(6-oxopiperidin-3-yl)benzimidazole-4-carbonitrile
CID 104719697
2-propan-2-yl-1-(3,3,3-trifluoropropyl)benzimidazole-4-carboxylic acid
CID 115543585
2-propan-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole-4-carboxylic acid
CID 115542946
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115543871
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115543992
2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid
CID 83842366
2-propan-2-yl-1-(thiolan-2-ylmethyl)benzimidazole-4-carboxylic acid
CID 115543930
1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid
CID 104966804
1-hexan-3-yl-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115543470
2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid
CID 115541492
2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 106253144

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid (CID 106188800) is 1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid is CC(C)c1nc2c(C(=O)O)cccc2n1C1CNC(=O)C1.
What is the InChIKey of 1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid?
The InChIKey is COGAYHZVXPLWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8(2)14-17-13-10(15(20)21)4-3-5-11(13)18(14)9-6-12(19)16-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid?
1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 106188800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).