1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole

C13H16N2 — CID 23106819

IUPAC1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole
SMILESC=Cc1ccc(CN2C=CN(C)C2)cc1
InChIInChI=1S/C13H16N2/c1-3-12-4-6-13(7-5-12)10-15-9-8-14(2)11-15/h3-9H,1,10-11H2,2H3
InChIKeyCVZYZFFCMHSVCM-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.51
Rot. Bonds3

About 1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole

1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole (PubChem CID 23106819) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole
PubChem CID23106819
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole
SMILESC=Cc1ccc(CN2C=CN(C)C2)cc1
InChIInChI=1S/C13H16N2/c1-3-12-4-6-13(7-5-12)10-15-9-8-14(2)11-15/h3-9H,1,10-11H2,2H3
InChIKeyCVZYZFFCMHSVCM-UHFFFAOYSA-N
XLogP2.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole?
The IUPAC name of 1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole (CID 23106819) is 1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole.
What is the SMILES notation for 1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole?
The canonical SMILES for 1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole is C=Cc1ccc(CN2C=CN(C)C2)cc1.
What is the InChIKey of 1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole?
The InChIKey is CVZYZFFCMHSVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-12-4-6-13(7-5-12)10-15-9-8-14(2)11-15/h3-9H,1,10-11H2,2H3.
What are the key properties of 1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole?
1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole has a molecular weight of 200.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole is sourced from PubChem (CID 23106819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).