1-(2-prop-2-ynoxyphenyl)imidazole

C12H10N2O — CID 12509101

IUPAC1-(2-prop-2-ynoxyphenyl)imidazole
SMILESC#CCOc1ccccc1-n1ccnc1
InChIInChI=1S/C12H10N2O/c1-2-9-15-12-6-4-3-5-11(12)14-8-7-13-10-14/h1,3-8,10H,9H2
InChIKeyCZXXUCIWDMYADR-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.88
Rot. Bonds3

About 1-(2-prop-2-ynoxyphenyl)imidazole

1-(2-prop-2-ynoxyphenyl)imidazole (PubChem CID 12509101) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(2-prop-2-ynoxyphenyl)imidazole.

Molecular Properties

Compound Name1-(2-prop-2-ynoxyphenyl)imidazole
PubChem CID12509101
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name1-(2-prop-2-ynoxyphenyl)imidazole
SMILESC#CCOc1ccccc1-n1ccnc1
InChIInChI=1S/C12H10N2O/c1-2-9-15-12-6-4-3-5-11(12)14-8-7-13-10-14/h1,3-8,10H,9H2
InChIKeyCZXXUCIWDMYADR-UHFFFAOYSA-N
XLogP1.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
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 1-(2-prop-2-ynoxyphenyl)imidazole?
The IUPAC name of 1-(2-prop-2-ynoxyphenyl)imidazole (CID 12509101) is 1-(2-prop-2-ynoxyphenyl)imidazole.
What is the SMILES notation for 1-(2-prop-2-ynoxyphenyl)imidazole?
The canonical SMILES for 1-(2-prop-2-ynoxyphenyl)imidazole is C#CCOc1ccccc1-n1ccnc1.
What is the InChIKey of 1-(2-prop-2-ynoxyphenyl)imidazole?
The InChIKey is CZXXUCIWDMYADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-2-9-15-12-6-4-3-5-11(12)14-8-7-13-10-14/h1,3-8,10H,9H2.
What are the key properties of 1-(2-prop-2-ynoxyphenyl)imidazole?
1-(2-prop-2-ynoxyphenyl)imidazole has a molecular weight of 198.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-ynoxyphenyl)imidazole is sourced from PubChem (CID 12509101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).