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

C14H17N3O3 — CID 82790766

IUPAC2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
SMILESCCNC(=O)Cn1c(CC)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C14H17N3O3/c1-3-12-16-10-6-5-9(14(19)20)7-11(10)17(12)8-13(18)15-4-2/h5-7H,3-4,8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyWQRLIQHIEIOJGR-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.43
Rot. Bonds5

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

2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid (PubChem CID 82790766) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
PubChem CID82790766
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
SMILESCCNC(=O)Cn1c(CC)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C14H17N3O3/c1-3-12-16-10-6-5-9(14(19)20)7-11(10)17(12)8-13(18)15-4-2/h5-7H,3-4,8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyWQRLIQHIEIOJGR-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
CID 82770724
3-[2-(cyclopropylamino)-2-oxoethyl]-2-ethylbenzimidazole-5-carboxylic acid
CID 82770860
1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
CID 43566684
2-ethyl-3-(2,3,3-trimethylbutyl)benzimidazole-5-carboxylic acid
CID 83142351
2-ethyl-3-(3-methoxy-3-oxopropyl)benzimidazole-5-carboxylic acid
CID 82790769
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 106279134
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid
CID 82773344
2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid
CID 82791085
3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82770294
2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 82774230
2-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole-5-carboxylic acid
CID 82774613

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid (CID 82790766) is 2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid is CCNC(=O)Cn1c(CC)nc2ccc(C(=O)O)cc21.
What is the InChIKey of 2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid?
The InChIKey is WQRLIQHIEIOJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-12-16-10-6-5-9(14(19)20)7-11(10)17(12)8-13(18)15-4-2/h5-7H,3-4,8H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid?
2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82790766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).