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

C13H13N3 — CID 53275789

IUPAC2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C)nc(-c2ccccc2)c1N
InChIInChI=1S/C13H13N3/c1-3-9-16-10(2)15-12(13(16)14)11-7-5-4-6-8-11/h1,4-8H,9,14H2,2H3
InChIKeyJKWCUGPJXBEUMO-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.07
Rot. Bonds2

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

2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine (PubChem CID 53275789) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
PubChem CID53275789
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C)nc(-c2ccccc2)c1N
InChIInChI=1S/C13H13N3/c1-3-9-16-10(2)15-12(13(16)14)11-7-5-4-6-8-11/h1,4-8H,9,14H2,2H3
InChIKeyJKWCUGPJXBEUMO-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.07
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 2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine (CID 53275789) is 2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(C)nc(-c2ccccc2)c1N.
What is the InChIKey of 2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is JKWCUGPJXBEUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-3-9-16-10(2)15-12(13(16)14)11-7-5-4-6-8-11/h1,4-8H,9,14H2,2H3.
What are the key properties of 2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine?
2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 211.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 53275789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).