5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole

C28H32N4 — CID 10093854

IUPAC5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole
SMILESCC(C)=CCc1cnc(-c2ccccc2)[nH]1.CC(C)=CCc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/2C14H16N2/c2*1-11(2)8-9-13-10-15-14(16-13)12-6-4-3-5-7-12/h2*3-8,10H,9H2,1-2H3,(H,15,16)
InChIKeyULZLGKLOJPTXMU-UHFFFAOYSA-N
MW424.59 g/mol
LogP7.17
Rot. Bonds6

About 5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole

5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole (PubChem CID 10093854) has the molecular formula C28H32N4 and a molecular weight of 424.59 g/mol. Its IUPAC name is 5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole
PubChem CID10093854
Molecular FormulaC28H32N4
Molecular Weight424.59 g/mol
Exact Mass424.26
IUPAC Name5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole
SMILESCC(C)=CCc1cnc(-c2ccccc2)[nH]1.CC(C)=CCc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/2C14H16N2/c2*1-11(2)8-9-13-10-15-14(16-13)12-6-4-3-5-7-12/h2*3-8,10H,9H2,1-2H3,(H,15,16)
InChIKeyULZLGKLOJPTXMU-UHFFFAOYSA-N
XLogP7.17
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110711155
ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate
CID 141122236
2-phenyl-5-undecyl-1H-imidazole
CID 154198104
1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride
CID 170894357
methyl 3,3-dimethyl-5-(2-phenyl-1H-imidazol-5-yl)pentanoate
CID 147807943
N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride
CID 158284704
2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110711165
ethane;5-methyl-2-phenyl-1H-imidazole
CID 145236732
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82288733
1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 74226153
(3R,5S)-5-[[methyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]methyl]pyrrolidin-3-ol
CID 154759749

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole?
The IUPAC name of 5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole (CID 10093854) is 5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole.
What is the SMILES notation for 5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole?
The canonical SMILES for 5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole is CC(C)=CCc1cnc(-c2ccccc2)[nH]1.CC(C)=CCc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole?
The InChIKey is ULZLGKLOJPTXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16N2/c2*1-11(2)8-9-13-10-15-14(16-13)12-6-4-3-5-7-12/h2*3-8,10H,9H2,1-2H3,(H,15,16).
What are the key properties of 5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole?
5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole has a molecular weight of 424.59 g/mol, XLogP of 7.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole is sourced from PubChem (CID 10093854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).