1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole

C16H19BrN2 — CID 174690768

IUPAC1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole
SMILESC=Cc1ccc(CC(Br)CC(C)n2ccnc2)cc1
InChIInChI=1S/C16H19BrN2/c1-3-14-4-6-15(7-5-14)11-16(17)10-13(2)19-9-8-18-12-19/h3-9,12-13,16H,1,10-11H2,2H3
InChIKeyMSGQAXIAOQKJTL-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.48
Rot. Bonds6

About 1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole

1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole (PubChem CID 174690768) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole.

Molecular Properties

Compound Name1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole
PubChem CID174690768
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole
SMILESC=Cc1ccc(CC(Br)CC(C)n2ccnc2)cc1
InChIInChI=1S/C16H19BrN2/c1-3-14-4-6-15(7-5-14)11-16(17)10-13(2)19-9-8-18-12-19/h3-9,12-13,16H,1,10-11H2,2H3
InChIKeyMSGQAXIAOQKJTL-UHFFFAOYSA-N
XLogP4.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethenylphenyl)ethane-1,1-diol
CID 166912920
1-ethenyl-4-(2-methylbutyl)benzene
CID 22475803
5-imidazol-1-ylhexan-3-amine
CID 122542899
4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride
CID 21153674
2-(2-imidazol-1-ylpropyl)-1-methylimidazole
CID 90975843
(1R)-1-imidazol-1-yl-2-phenylethanol
CID 91356696
1-[1-(4-methylphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
CID 510049
1-(4,4-dimethylpentan-2-yl)imidazole
CID 118984043
1-ethenyl-4-(2-methylpropyl)benzene;propanal
CID 157417847
1-imidazol-1-ylethanol
CID 18366448
1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole
CID 57402760
1-(dibromomethyl)imidazole
CID 175175892

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole?
The IUPAC name of 1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole (CID 174690768) is 1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole.
What is the SMILES notation for 1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole?
The canonical SMILES for 1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole is C=Cc1ccc(CC(Br)CC(C)n2ccnc2)cc1.
What is the InChIKey of 1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole?
The InChIKey is MSGQAXIAOQKJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-14-4-6-15(7-5-14)11-16(17)10-13(2)19-9-8-18-12-19/h3-9,12-13,16H,1,10-11H2,2H3.
What are the key properties of 1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole?
1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole has a molecular weight of 319.25 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole is sourced from PubChem (CID 174690768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).