2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid

C14H15N3O3 — CID 106253144

IUPAC2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1C1CCN(C)C1=O
InChIInChI=1S/C14H15N3O3/c1-8-15-12-9(14(19)20)4-3-5-10(12)17(8)11-6-7-16(2)13(11)18/h3-5,11H,6-7H2,1-2H3,(H,19,20)
InChIKeySZRADKUBBWTZTM-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.45
Rot. Bonds2

About 2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid

2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid (PubChem CID 106253144) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid
PubChem CID106253144
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1C1CCN(C)C1=O
InChIInChI=1S/C14H15N3O3/c1-8-15-12-9(14(19)20)4-3-5-10(12)17(8)11-6-7-16(2)13(11)18/h3-5,11H,6-7H2,1-2H3,(H,19,20)
InChIKeySZRADKUBBWTZTM-UHFFFAOYSA-N
XLogP1.45
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid
CID 104966804
3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258960
1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332313
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115543497
2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 107420058
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543164
3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258949
2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid
CID 83842366
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015
2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543220
2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115543363

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid (CID 106253144) is 2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cccc2n1C1CCN(C)C1=O.
What is the InChIKey of 2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid?
The InChIKey is SZRADKUBBWTZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-15-12-9(14(19)20)4-3-5-10(12)17(8)11-6-7-16(2)13(11)18/h3-5,11H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid?
2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 106253144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).