1-(benzimidazol-1-yl)non-8-en-2-amine

C16H23N3 — CID 107011933

IUPAC1-(benzimidazol-1-yl)non-8-en-2-amine
SMILESC=CCCCCCC(N)Cn1cnc2ccccc21
InChIInChI=1S/C16H23N3/c1-2-3-4-5-6-9-14(17)12-19-13-18-15-10-7-8-11-16(15)19/h2,7-8,10-11,13-14H,1,3-6,9,12,17H2
InChIKeyNEAHHMAMYYPQPH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.50
Rot. Bonds8

About 1-(benzimidazol-1-yl)non-8-en-2-amine

1-(benzimidazol-1-yl)non-8-en-2-amine (PubChem CID 107011933) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)non-8-en-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)non-8-en-2-amine
PubChem CID107011933
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(benzimidazol-1-yl)non-8-en-2-amine
SMILESC=CCCCCCC(N)Cn1cnc2ccccc21
InChIInChI=1S/C16H23N3/c1-2-3-4-5-6-9-14(17)12-19-13-18-15-10-7-8-11-16(15)19/h2,7-8,10-11,13-14H,1,3-6,9,12,17H2
InChIKeyNEAHHMAMYYPQPH-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)non-8-en-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)non-8-en-2-amine (CID 107011933) is 1-(benzimidazol-1-yl)non-8-en-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)non-8-en-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)non-8-en-2-amine is C=CCCCCCC(N)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)non-8-en-2-amine?
The InChIKey is NEAHHMAMYYPQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-3-4-5-6-9-14(17)12-19-13-18-15-10-7-8-11-16(15)19/h2,7-8,10-11,13-14H,1,3-6,9,12,17H2.
What are the key properties of 1-(benzimidazol-1-yl)non-8-en-2-amine?
1-(benzimidazol-1-yl)non-8-en-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.50, 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)non-8-en-2-amine is sourced from PubChem (CID 107011933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).