5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine

C21H27N3 — CID 53302867

IUPAC5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine
SMILESCCCCCCCCNc1ncc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C21H27N3/c1-2-3-4-5-6-9-15-22-21-23-16-20(24-21)19-14-10-12-17-11-7-8-13-18(17)19/h7-8,10-14,16H,2-6,9,15H2,1H3,(H2,22,23,24)
InChIKeyNSUGRLSWMXGOLQ-UHFFFAOYSA-N
MW321.47 g/mol
LogP6.00
Rot. Bonds9

About 5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine

5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine (PubChem CID 53302867) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine
PubChem CID53302867
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine
SMILESCCCCCCCCNc1ncc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C21H27N3/c1-2-3-4-5-6-9-15-22-21-23-16-20(24-21)19-14-10-12-17-11-7-8-13-18(17)19/h7-8,10-14,16H,2-6,9,15H2,1H3,(H2,22,23,24)
InChIKeyNSUGRLSWMXGOLQ-UHFFFAOYSA-N
XLogP6.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.47
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine?
The IUPAC name of 5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine (CID 53302867) is 5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine.
What is the SMILES notation for 5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine?
The canonical SMILES for 5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine is CCCCCCCCNc1ncc(-c2cccc3ccccc23)[nH]1.
What is the InChIKey of 5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine?
The InChIKey is NSUGRLSWMXGOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-2-3-4-5-6-9-15-22-21-23-16-20(24-21)19-14-10-12-17-11-7-8-13-18(17)19/h7-8,10-14,16H,2-6,9,15H2,1H3,(H2,22,23,24).
What are the key properties of 5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine?
5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine has a molecular weight of 321.47 g/mol, XLogP of 6.00, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-N-octyl-1H-imidazol-2-amine is sourced from PubChem (CID 53302867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).