2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole

C14H16N2 — CID 66771337

IUPAC2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole
SMILESCC=C(c1ncc[nH]1)c1cccc(C)c1C
InChIInChI=1S/C14H16N2/c1-4-12(14-15-8-9-16-14)13-7-5-6-10(2)11(13)3/h4-9H,1-3H3,(H,15,16)
InChIKeyBWKZRTVELNHFST-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.48
Rot. Bonds2

About 2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole

2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole (PubChem CID 66771337) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole
PubChem CID66771337
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole
SMILESCC=C(c1ncc[nH]1)c1cccc(C)c1C
InChIInChI=1S/C14H16N2/c1-4-12(14-15-8-9-16-14)13-7-5-6-10(2)11(13)3/h4-9H,1-3H3,(H,15,16)
InChIKeyBWKZRTVELNHFST-UHFFFAOYSA-N
XLogP3.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole (CID 66771337) is 2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole is CC=C(c1ncc[nH]1)c1cccc(C)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole?
The InChIKey is BWKZRTVELNHFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-4-12(14-15-8-9-16-14)13-7-5-6-10(2)11(13)3/h4-9H,1-3H3,(H,15,16).
What are the key properties of 2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole?
2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole has a molecular weight of 212.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole is sourced from PubChem (CID 66771337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).