2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid

C15H19N3O3 — CID 82311029

IUPAC2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1c(CN2CCOCC2)nc2ccccc21
InChIInChI=1S/C15H19N3O3/c1-11(15(19)20)18-13-5-3-2-4-12(13)16-14(18)10-17-6-8-21-9-7-17/h2-5,11H,6-10H2,1H3,(H,19,20)
InChIKeyHMJCYWQYNNMQGN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.51
Rot. Bonds4

About 2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid

2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid (PubChem CID 82311029) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid
PubChem CID82311029
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1c(CN2CCOCC2)nc2ccccc21
InChIInChI=1S/C15H19N3O3/c1-11(15(19)20)18-13-5-3-2-4-12(13)16-14(18)10-17-6-8-21-9-7-17/h2-5,11H,6-10H2,1H3,(H,19,20)
InChIKeyHMJCYWQYNNMQGN-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
CID 82024672
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
2-[2-[(4-aminophenyl)methyl]benzimidazol-1-yl]propanoic acid
CID 82024733
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 42810175
(1S,5R)-3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122559237
N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124821668
3-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967729
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 82144571
4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
CID 16805688

Frequently Asked Questions

What is the IUPAC name of 2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid (CID 82311029) is 2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid is CC(C(=O)O)n1c(CN2CCOCC2)nc2ccccc21.
What is the InChIKey of 2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid?
The InChIKey is HMJCYWQYNNMQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(15(19)20)18-13-5-3-2-4-12(13)16-14(18)10-17-6-8-21-9-7-17/h2-5,11H,6-10H2,1H3,(H,19,20).
What are the key properties of 2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid?
2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 82311029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).