3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine

C13H19N3O — CID 60721061

IUPAC3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCn1cnc2ccccc21
InChIInChI=1S/C13H19N3O/c1-17-10-8-14-7-4-9-16-11-15-12-5-2-3-6-13(12)16/h2-3,5-6,11,14H,4,7-10H2,1H3
InChIKeyMHQZXLULCOIHDF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.66
Rot. Bonds7

About 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine

3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 60721061) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID60721061
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCn1cnc2ccccc21
InChIInChI=1S/C13H19N3O/c1-17-10-8-14-7-4-9-16-11-15-12-5-2-3-6-13(12)16/h2-3,5-6,11,14H,4,7-10H2,1H3
InChIKeyMHQZXLULCOIHDF-UHFFFAOYSA-N
XLogP1.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.66
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
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine
CID 62563672
3-(benzotriazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62563385
1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 16994969
3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62756291
bis(1-butylbenzimidazole);ethane
CID 142164287
3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 55109662
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide
CID 51222006
3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine
CID 28781418
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine (CID 60721061) is 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine is COCCNCCCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is MHQZXLULCOIHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-17-10-8-14-7-4-9-16-11-15-12-5-2-3-6-13(12)16/h2-3,5-6,11,14H,4,7-10H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine?
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 1.66, 7 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)propan-1-amine is sourced from PubChem (CID 60721061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).