3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid

C14H15N3O3 — CID 115932955

IUPAC3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1CC(=O)NC1CC1
InChIInChI=1S/C14H15N3O3/c1-8-15-11-4-2-3-10(14(19)20)13(11)17(8)7-12(18)16-9-5-6-9/h2-4,9H,5-7H2,1H3,(H,16,18)(H,19,20)
InChIKeyIHEIDZCMHOQMLC-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.32
Rot. Bonds4

About 3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid

3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid (PubChem CID 115932955) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid
PubChem CID115932955
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1CC(=O)NC1CC1
InChIInChI=1S/C14H15N3O3/c1-8-15-11-4-2-3-10(14(19)20)13(11)17(8)7-12(18)16-9-5-6-9/h2-4,9H,5-7H2,1H3,(H,16,18)(H,19,20)
InChIKeyIHEIDZCMHOQMLC-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[2-(methylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 112577140
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
3-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577362
3-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115933325
3-(2,3-dimethylbutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577342
2-methyl-3-(2-methylsulfanylethyl)benzimidazole-4-carboxylic acid
CID 112577314
3-[2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 70896215
2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid
CID 115933267
2-methyl-3-(2-thiomorpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 106326675
1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 62874027
2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid
CID 112577289
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 55694353

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid?
The IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid (CID 115932955) is 3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid is Cc1nc2cccc(C(=O)O)c2n1CC(=O)NC1CC1.
What is the InChIKey of 3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid?
The InChIKey is IHEIDZCMHOQMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-15-11-4-2-3-10(14(19)20)13(11)17(8)7-12(18)16-9-5-6-9/h2-4,9H,5-7H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid?
3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 115932955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).