2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole

C14H16N2 — CID 70614315

IUPAC2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole
SMILESCc1ccc(C=CCc2ncc[nH]2)cc1C
InChIInChI=1S/C14H16N2/c1-11-6-7-13(10-12(11)2)4-3-5-14-15-8-9-16-14/h3-4,6-10H,5H2,1-2H3,(H,15,16)
InChIKeyNMFPBHDDDCRSCN-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.28
Rot. Bonds3

About 2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole

2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole (PubChem CID 70614315) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole.

Molecular Properties

Compound Name2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole
PubChem CID70614315
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole
SMILESCc1ccc(C=CCc2ncc[nH]2)cc1C
InChIInChI=1S/C14H16N2/c1-11-6-7-13(10-12(11)2)4-3-5-14-15-8-9-16-14/h3-4,6-10H,5H2,1-2H3,(H,15,16)
InChIKeyNMFPBHDDDCRSCN-UHFFFAOYSA-N
XLogP3.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole?
The IUPAC name of 2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole (CID 70614315) is 2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole.
What is the SMILES notation for 2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole?
The canonical SMILES for 2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole is Cc1ccc(C=CCc2ncc[nH]2)cc1C.
What is the InChIKey of 2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole?
The InChIKey is NMFPBHDDDCRSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-6-7-13(10-12(11)2)4-3-5-14-15-8-9-16-14/h3-4,6-10H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole?
2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole has a molecular weight of 212.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole is sourced from PubChem (CID 70614315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).