2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid

C15H19N3O3 — CID 115542771

IUPAC2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1CCN1CCOCC1
InChIInChI=1S/C15H19N3O3/c1-11-16-14-12(15(19)20)3-2-4-13(14)18(11)6-5-17-7-9-21-10-8-17/h2-4H,5-10H2,1H3,(H,19,20)
InChIKeyTWWABSGVHNAOQY-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.38
Rot. Bonds4

About 2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid

2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid (PubChem CID 115542771) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
PubChem CID115542771
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1CCN1CCOCC1
InChIInChI=1S/C15H19N3O3/c1-11-16-14-12(15(19)20)3-2-4-13(14)18(11)6-5-17-7-9-21-10-8-17/h2-4H,5-10H2,1H3,(H,19,20)
InChIKeyTWWABSGVHNAOQY-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332313
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015
1-[2-(dimethylamino)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115542757
2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115543363
2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
CID 114101514
1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 106240755
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543164
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543398
1-(3-hydroxy-4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 106248054
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 106407505
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115543564
1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541257

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid (CID 115542771) is 2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cccc2n1CCN1CCOCC1.
What is the InChIKey of 2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid?
The InChIKey is TWWABSGVHNAOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-16-14-12(15(19)20)3-2-4-13(14)18(11)6-5-17-7-9-21-10-8-17/h2-4H,5-10H2,1H3,(H,19,20).
What are the key properties of 2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid?
2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115542771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).