2-[1-(3-methylphenyl)ethenyl]-1H-imidazole

C12H12N2 — CID 67081883

IUPAC2-[1-(3-methylphenyl)ethenyl]-1H-imidazole
SMILESC=C(c1cccc(C)c1)c1ncc[nH]1
InChIInChI=1S/C12H12N2/c1-9-4-3-5-11(8-9)10(2)12-13-6-7-14-12/h3-8H,2H2,1H3,(H,13,14)
InChIKeyTUXDRFXCLGQTJF-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.78
Rot. Bonds2

About 2-[1-(3-methylphenyl)ethenyl]-1H-imidazole

2-[1-(3-methylphenyl)ethenyl]-1H-imidazole (PubChem CID 67081883) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)ethenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)ethenyl]-1H-imidazole
PubChem CID67081883
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-[1-(3-methylphenyl)ethenyl]-1H-imidazole
SMILESC=C(c1cccc(C)c1)c1ncc[nH]1
InChIInChI=1S/C12H12N2/c1-9-4-3-5-11(8-9)10(2)12-13-6-7-14-12/h3-8H,2H2,1H3,(H,13,14)
InChIKeyTUXDRFXCLGQTJF-UHFFFAOYSA-N
XLogP2.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)ethenyl]-1H-imidazole?
The IUPAC name of 2-[1-(3-methylphenyl)ethenyl]-1H-imidazole (CID 67081883) is 2-[1-(3-methylphenyl)ethenyl]-1H-imidazole.
What is the SMILES notation for 2-[1-(3-methylphenyl)ethenyl]-1H-imidazole?
The canonical SMILES for 2-[1-(3-methylphenyl)ethenyl]-1H-imidazole is C=C(c1cccc(C)c1)c1ncc[nH]1.
What is the InChIKey of 2-[1-(3-methylphenyl)ethenyl]-1H-imidazole?
The InChIKey is TUXDRFXCLGQTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-9-4-3-5-11(8-9)10(2)12-13-6-7-14-12/h3-8H,2H2,1H3,(H,13,14).
What are the key properties of 2-[1-(3-methylphenyl)ethenyl]-1H-imidazole?
2-[1-(3-methylphenyl)ethenyl]-1H-imidazole has a molecular weight of 184.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)ethenyl]-1H-imidazole is sourced from PubChem (CID 67081883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).