3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid

C15H19N3O3 — CID 82770724

IUPAC3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
SMILESCCCc1nc2ccc(C(=O)O)cc2n1CC(=O)NCC
InChIInChI=1S/C15H19N3O3/c1-3-5-13-17-11-7-6-10(15(20)21)8-12(11)18(13)9-14(19)16-4-2/h6-8H,3-5,9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyAIIJIOXTMKCELQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.82
Rot. Bonds6

About 3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid

3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid (PubChem CID 82770724) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
PubChem CID82770724
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
SMILESCCCc1nc2ccc(C(=O)O)cc2n1CC(=O)NCC
InChIInChI=1S/C15H19N3O3/c1-3-5-13-17-11-7-6-10(15(20)21)8-12(11)18(13)9-14(19)16-4-2/h6-8H,3-5,9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyAIIJIOXTMKCELQ-UHFFFAOYSA-N
XLogP1.82
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 82790766
1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
CID 43566684
3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 82790362
3-[2-(cyclopropylamino)-2-oxoethyl]-2-ethylbenzimidazole-5-carboxylic acid
CID 82770860
2-propyl-3-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 82774746
3-[1-(methylamino)-1-oxopropan-2-yl]-2-propylbenzimidazole-5-carboxylic acid
CID 82769223
3-(oxolan-3-ylmethyl)-2-propylbenzimidazole-5-carboxylic acid
CID 82774632
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N-ethylacetamide
CID 43661207
1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid
CID 43552983
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 43566686
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 82774444

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid (CID 82770724) is 3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid is CCCc1nc2ccc(C(=O)O)cc2n1CC(=O)NCC.
What is the InChIKey of 3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid?
The InChIKey is AIIJIOXTMKCELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-5-13-17-11-7-6-10(15(20)21)8-12(11)18(13)9-14(19)16-4-2/h6-8H,3-5,9H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid?
3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 82770724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).