5-phenyl-3-prop-2-ynylimidazol-4-amine

C12H11N3 — CID 47002775

IUPAC5-phenyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1cnc(-c2ccccc2)c1N
InChIInChI=1S/C12H11N3/c1-2-8-15-9-14-11(12(15)13)10-6-4-3-5-7-10/h1,3-7,9H,8,13H2
InChIKeyCPLYVZILXKPOIS-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.77
Rot. Bonds2

About 5-phenyl-3-prop-2-ynylimidazol-4-amine

5-phenyl-3-prop-2-ynylimidazol-4-amine (PubChem CID 47002775) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-phenyl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-phenyl-3-prop-2-ynylimidazol-4-amine
PubChem CID47002775
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name5-phenyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1cnc(-c2ccccc2)c1N
InChIInChI=1S/C12H11N3/c1-2-8-15-9-14-11(12(15)13)10-6-4-3-5-7-10/h1,3-7,9H,8,13H2
InChIKeyCPLYVZILXKPOIS-UHFFFAOYSA-N
XLogP1.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-phenyl-3-prop-2-ynylimidazol-4-amine (CID 47002775) is 5-phenyl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-phenyl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-phenyl-3-prop-2-ynylimidazol-4-amine is C#CCn1cnc(-c2ccccc2)c1N.
What is the InChIKey of 5-phenyl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is CPLYVZILXKPOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-2-8-15-9-14-11(12(15)13)10-6-4-3-5-7-10/h1,3-7,9H,8,13H2.
What are the key properties of 5-phenyl-3-prop-2-ynylimidazol-4-amine?
5-phenyl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 197.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 47002775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).