2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid

C14H15N3O3 — CID 62092150

IUPAC2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1C1CCCNC1=O
InChIInChI=1S/C14H15N3O3/c1-8-16-10-7-9(14(19)20)4-5-11(10)17(8)12-3-2-6-15-13(12)18/h4-5,7,12H,2-3,6H2,1H3,(H,15,18)(H,19,20)
InChIKeyWFGDMDNVMJXAQY-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.49
Rot. Bonds2

About 2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid

2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid (PubChem CID 62092150) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid
PubChem CID62092150
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1C1CCCNC1=O
InChIInChI=1S/C14H15N3O3/c1-8-16-10-7-9(14(19)20)4-5-11(10)17(8)12-3-2-6-15-13(12)18/h4-5,7,12H,2-3,6H2,1H3,(H,15,18)(H,19,20)
InChIKeyWFGDMDNVMJXAQY-UHFFFAOYSA-N
XLogP1.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 113221527
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2-methyl-1-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
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2-methyl-1-(2-propylcyclopropyl)benzimidazole-5-carboxylic acid
CID 114111956
1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid
CID 61478085
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
(1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 71305225
3-[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]piperidin-2-one
CID 66081655
1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
CID 82492875
1-(2-cyclohexylethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63548848
2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
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2-methyl-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 43322906

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid (CID 62092150) is 2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1C1CCCNC1=O.
What is the InChIKey of 2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid?
The InChIKey is WFGDMDNVMJXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-16-10-7-9(14(19)20)4-5-11(10)17(8)12-3-2-6-15-13(12)18/h4-5,7,12H,2-3,6H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid?
2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 62092150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).