2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine

C14H25N3O — CID 63954273

IUPAC2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine
SMILESCCCC1CCc2nc(CNCCOC)[nH]c2C1
InChIInChI=1S/C14H25N3O/c1-3-4-11-5-6-12-13(9-11)17-14(16-12)10-15-7-8-18-2/h11,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyMGYYOVGIPQRIIQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.05
Rot. Bonds7

About 2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine

2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine (PubChem CID 63954273) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine
PubChem CID63954273
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine
SMILESCCCC1CCc2nc(CNCCOC)[nH]c2C1
InChIInChI=1S/C14H25N3O/c1-3-4-11-5-6-12-13(9-11)17-14(16-12)10-15-7-8-18-2/h11,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyMGYYOVGIPQRIIQ-UHFFFAOYSA-N
XLogP2.05
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine (CID 63954273) is 2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine is CCCC1CCc2nc(CNCCOC)[nH]c2C1.
What is the InChIKey of 2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine?
The InChIKey is MGYYOVGIPQRIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-4-11-5-6-12-13(9-11)17-14(16-12)10-15-7-8-18-2/h11,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine?
2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 63954273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).