1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine

C17H23N3 — CID 105179707

IUPAC1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine
SMILESC#CCCCC(Cn1cnc2ccccc21)NCCC
InChIInChI=1S/C17H23N3/c1-3-5-6-9-15(18-12-4-2)13-20-14-19-16-10-7-8-11-17(16)20/h1,7-8,10-11,14-15,18H,4-6,9,12-13H2,2H3
InChIKeySVHXPKJUVKXEJU-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.21
Rot. Bonds8

About 1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine

1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine (PubChem CID 105179707) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine
PubChem CID105179707
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine
SMILESC#CCCCC(Cn1cnc2ccccc21)NCCC
InChIInChI=1S/C17H23N3/c1-3-5-6-9-15(18-12-4-2)13-20-14-19-16-10-7-8-11-17(16)20/h1,7-8,10-11,14-15,18H,4-6,9,12-13H2,2H3
InChIKeySVHXPKJUVKXEJU-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine
CID 105127217
1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine
CID 105077571
1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
CID 105152945
1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105134365
[1-(benzimidazol-1-yl)-4-ethyloctan-2-yl]hydrazine
CID 105288251
N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 105098601
1-(2-heptadecylicosyl)benzimidazole
CID 59202249
1-(benzimidazol-1-yl)hexan-2-amine
CID 105125140
1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine
CID 105152492
[1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine
CID 105310801
1-(benzimidazol-1-yl)decan-2-ol
CID 105085738
1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031480

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine (CID 105179707) is 1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine is C#CCCCC(Cn1cnc2ccccc21)NCCC.
What is the InChIKey of 1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine?
The InChIKey is SVHXPKJUVKXEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-5-6-9-15(18-12-4-2)13-20-14-19-16-10-7-8-11-17(16)20/h1,7-8,10-11,14-15,18H,4-6,9,12-13H2,2H3.
What are the key properties of 1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine?
1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine is sourced from PubChem (CID 105179707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).