3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide

C13H17N3O2 — CID 36838359

IUPAC3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C13H17N3O2/c1-18-9-7-14-13(17)6-8-16-10-15-11-4-2-3-5-12(11)16/h2-5,10H,6-9H2,1H3,(H,14,17)
InChIKeyAEIDGWXERBTISR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.19
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide

3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 36838359) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
PubChem CID36838359
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C13H17N3O2/c1-18-9-7-14-13(17)6-8-16-10-15-11-4-2-3-5-12(11)16/h2-5,10H,6-9H2,1H3,(H,14,17)
InChIKeyAEIDGWXERBTISR-UHFFFAOYSA-N
XLogP1.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 77092597
3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 36842954
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 60721061
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114475
3-(benzimidazol-1-yl)-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119619800
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide (CID 36838359) is 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is AEIDGWXERBTISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-18-9-7-14-13(17)6-8-16-10-15-11-4-2-3-5-12(11)16/h2-5,10H,6-9H2,1H3,(H,14,17).
What are the key properties of 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide?
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 247.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 36838359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).