1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid

C14H19N3O3 — CID 115543563

IUPAC1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid
SMILESCOCCN(C)CCn1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C14H19N3O3/c1-16(8-9-20-2)6-7-17-10-15-13-11(14(18)19)4-3-5-12(13)17/h3-5,10H,6-9H2,1-2H3,(H,18,19)
InChIKeyWYUVNZKQFIWKRK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.31
Rot. Bonds7

About 1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid

1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid (PubChem CID 115543563) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid
PubChem CID115543563
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid
SMILESCOCCN(C)CCn1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C14H19N3O3/c1-16(8-9-20-2)6-7-17-10-15-13-11(14(18)19)4-3-5-12(13)17/h3-5,10H,6-9H2,1-2H3,(H,18,19)
InChIKeyWYUVNZKQFIWKRK-UHFFFAOYSA-N
XLogP1.31
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115543564
1-(5-amino-5-oxopentyl)benzimidazole-4-carboxylic acid
CID 114162760
1-(2,2-difluoroethyl)benzimidazole-4-carboxylic acid
CID 115543983
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
1-[(1-methylimidazol-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543615
1-[2-[ethyl(methyl)amino]ethyl]benzotriazole-4-carboxylic acid
CID 115541869
1-(4-methylpiperazin-1-yl)benzimidazole-4-carboxylic acid
CID 83019459
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015
1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543397
1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 115543820
1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazole-4-carboxylic acid
CID 115543574
1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid
CID 106149250

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid (CID 115543563) is 1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid is COCCN(C)CCn1cnc2c(C(=O)O)cccc21.
What is the InChIKey of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid?
The InChIKey is WYUVNZKQFIWKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16(8-9-20-2)6-7-17-10-15-13-11(14(18)19)4-3-5-12(13)17/h3-5,10H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid?
1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).