1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine

C13H19N3O — CID 105164987

IUPAC1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine
SMILESCCOCC(Cn1cnc2ccccc21)NC
InChIInChI=1S/C13H19N3O/c1-3-17-9-11(14-2)8-16-10-15-12-6-4-5-7-13(12)16/h4-7,10-11,14H,3,8-9H2,1-2H3
InChIKeyFYXIFYMYNNOBTE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.66
Rot. Bonds6

About 1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine

1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine (PubChem CID 105164987) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine
PubChem CID105164987
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine
SMILESCCOCC(Cn1cnc2ccccc21)NC
InChIInChI=1S/C13H19N3O/c1-3-17-9-11(14-2)8-16-10-15-12-6-4-5-7-13(12)16/h4-7,10-11,14H,3,8-9H2,1-2H3
InChIKeyFYXIFYMYNNOBTE-UHFFFAOYSA-N
XLogP1.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

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CID 105152492
1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 105112839
1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031337
1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine
CID 105138856
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 105155793
1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 79751086
[1-(benzimidazol-1-yl)-4-methylpentan-2-yl]hydrazine
CID 105282683
2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 105118530
1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine
CID 105077571
1-(benzimidazol-1-yl)-N-ethylpent-4-en-2-amine
CID 105108409

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine (CID 105164987) is 1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine is CCOCC(Cn1cnc2ccccc21)NC.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine?
The InChIKey is FYXIFYMYNNOBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-17-9-11(14-2)8-16-10-15-12-6-4-5-7-13(12)16/h4-7,10-11,14H,3,8-9H2,1-2H3.
What are the key properties of 1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine?
1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine has a molecular weight of 233.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine is sourced from PubChem (CID 105164987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).