1-pentyl-5-phenylimidazol-2-amine

C14H19N3 — CID 6917245

IUPAC1-pentyl-5-phenylimidazol-2-amine
SMILESCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C14H19N3/c1-2-3-7-10-17-13(11-16-14(17)15)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,15,16)
InChIKeyGKGFUZRPOWKYPW-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.32
Rot. Bonds5

About 1-pentyl-5-phenylimidazol-2-amine

1-pentyl-5-phenylimidazol-2-amine (PubChem CID 6917245) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-pentyl-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-pentyl-5-phenylimidazol-2-amine
PubChem CID6917245
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-pentyl-5-phenylimidazol-2-amine
SMILESCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C14H19N3/c1-2-3-7-10-17-13(11-16-14(17)15)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,15,16)
InChIKeyGKGFUZRPOWKYPW-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.32
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-pentyl-5-phenylimidazol-2-amine?
The IUPAC name of 1-pentyl-5-phenylimidazol-2-amine (CID 6917245) is 1-pentyl-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-pentyl-5-phenylimidazol-2-amine?
The canonical SMILES for 1-pentyl-5-phenylimidazol-2-amine is CCCCCn1c(-c2ccccc2)cnc1N.
What is the InChIKey of 1-pentyl-5-phenylimidazol-2-amine?
The InChIKey is GKGFUZRPOWKYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-3-7-10-17-13(11-16-14(17)15)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,15,16).
What are the key properties of 1-pentyl-5-phenylimidazol-2-amine?
1-pentyl-5-phenylimidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-5-phenylimidazol-2-amine is sourced from PubChem (CID 6917245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).