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

C16H22N2 — CID 67099672

IUPAC1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole
SMILESC=Cc1ccc(CN2C=CN(CCCC)C2)cc1
InChIInChI=1S/C16H22N2/c1-3-5-10-17-11-12-18(14-17)13-16-8-6-15(4-2)7-9-16/h4,6-9,11-12H,2-3,5,10,13-14H2,1H3
InChIKeyOPCOHSVHTNQULK-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.68
Rot. Bonds6

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

1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole (PubChem CID 67099672) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole
PubChem CID67099672
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole
SMILESC=Cc1ccc(CN2C=CN(CCCC)C2)cc1
InChIInChI=1S/C16H22N2/c1-3-5-10-17-11-12-18(14-17)13-16-8-6-15(4-2)7-9-16/h4,6-9,11-12H,2-3,5,10,13-14H2,1H3
InChIKeyOPCOHSVHTNQULK-UHFFFAOYSA-N
XLogP3.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole?
The IUPAC name of 1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole (CID 67099672) is 1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole.
What is the SMILES notation for 1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole?
The canonical SMILES for 1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole is C=Cc1ccc(CN2C=CN(CCCC)C2)cc1.
What is the InChIKey of 1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole?
The InChIKey is OPCOHSVHTNQULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-5-10-17-11-12-18(14-17)13-16-8-6-15(4-2)7-9-16/h4,6-9,11-12H,2-3,5,10,13-14H2,1H3.
What are the key properties of 1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole?
1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole has a molecular weight of 242.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole is sourced from PubChem (CID 67099672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).