2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid

C17H24N4O3 — CID 134701689

IUPAC2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid
SMILESCCN(CCN1CCOCC1)c1nc2cc(C(=O)O)ccc2n1C
InChIInChI=1S/C17H24N4O3/c1-3-21(7-6-20-8-10-24-11-9-20)17-18-14-12-13(16(22)23)4-5-15(14)19(17)2/h4-5,12H,3,6-11H2,1-2H3,(H,22,23)
InChIKeyJPIAQMCVIOIARI-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.43
Rot. Bonds6

About 2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid

2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 134701689) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid
PubChem CID134701689
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid
SMILESCCN(CCN1CCOCC1)c1nc2cc(C(=O)O)ccc2n1C
InChIInChI=1S/C17H24N4O3/c1-3-21(7-6-20-8-10-24-11-9-20)17-18-14-12-13(16(22)23)4-5-15(14)19(17)2/h4-5,12H,3,6-11H2,1-2H3,(H,22,23)
InChIKeyJPIAQMCVIOIARI-UHFFFAOYSA-N
XLogP1.43
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
3-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967729
3-[[(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)amino]methyl]benzoic acid
CID 72911503
2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane
CID 144829094
1-methyl-2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]benzimidazole-5-carboxylic acid
CID 125446663
2-ethyl-1-(oxan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63711769
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]-1-methylbenzimidazole-5-carboxylic acid
CID 134706798
1-morpholin-4-ylbenzimidazole-5-carboxylic acid
CID 83019703
1-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzimidazole-5-carboxylic acid
CID 134705630
2-(2-pyrrolidin-1-ylethyl)benzotriazole-5-carboxylic acid
CID 83968734
(2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid
CID 97275213

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid (CID 134701689) is 2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid is CCN(CCN1CCOCC1)c1nc2cc(C(=O)O)ccc2n1C.
What is the InChIKey of 2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is JPIAQMCVIOIARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-21(7-6-20-8-10-24-11-9-20)17-18-14-12-13(16(22)23)4-5-15(14)19(17)2/h4-5,12H,3,6-11H2,1-2H3,(H,22,23).
What are the key properties of 2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid?
2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 134701689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).