1-nonyl-5-phenylimidazol-2-amine

C18H27N3 — CID 50941018

IUPAC1-nonyl-5-phenylimidazol-2-amine
SMILESCCCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C18H27N3/c1-2-3-4-5-6-7-11-14-21-17(15-20-18(21)19)16-12-9-8-10-13-16/h8-10,12-13,15H,2-7,11,14H2,1H3,(H2,19,20)
InChIKeyHTDVDWIWGHQRLZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.88
Rot. Bonds9

About 1-nonyl-5-phenylimidazol-2-amine

1-nonyl-5-phenylimidazol-2-amine (PubChem CID 50941018) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-nonyl-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-nonyl-5-phenylimidazol-2-amine
PubChem CID50941018
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-nonyl-5-phenylimidazol-2-amine
SMILESCCCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C18H27N3/c1-2-3-4-5-6-7-11-14-21-17(15-20-18(21)19)16-12-9-8-10-13-16/h8-10,12-13,15H,2-7,11,14H2,1H3,(H2,19,20)
InChIKeyHTDVDWIWGHQRLZ-UHFFFAOYSA-N
XLogP4.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
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 1-nonyl-5-phenylimidazol-2-amine?
The IUPAC name of 1-nonyl-5-phenylimidazol-2-amine (CID 50941018) is 1-nonyl-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-nonyl-5-phenylimidazol-2-amine?
The canonical SMILES for 1-nonyl-5-phenylimidazol-2-amine is CCCCCCCCCn1c(-c2ccccc2)cnc1N.
What is the InChIKey of 1-nonyl-5-phenylimidazol-2-amine?
The InChIKey is HTDVDWIWGHQRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-3-4-5-6-7-11-14-21-17(15-20-18(21)19)16-12-9-8-10-13-16/h8-10,12-13,15H,2-7,11,14H2,1H3,(H2,19,20).
What are the key properties of 1-nonyl-5-phenylimidazol-2-amine?
1-nonyl-5-phenylimidazol-2-amine has a molecular weight of 285.44 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-5-phenylimidazol-2-amine is sourced from PubChem (CID 50941018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).