2-methyl-1-(1-phenylbut-3-enyl)imidazole

C14H16N2 — CID 20595483

IUPAC2-methyl-1-(1-phenylbut-3-enyl)imidazole
SMILESC=CCC(c1ccccc1)n1ccnc1C
InChIInChI=1S/C14H16N2/c1-3-7-14(13-8-5-4-6-9-13)16-11-10-15-12(16)2/h3-6,8-11,14H,1,7H2,2H3
InChIKeySJVYRXCTUBTZCS-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.36
Rot. Bonds4

About 2-methyl-1-(1-phenylbut-3-enyl)imidazole

2-methyl-1-(1-phenylbut-3-enyl)imidazole (PubChem CID 20595483) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylbut-3-enyl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(1-phenylbut-3-enyl)imidazole
PubChem CID20595483
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-methyl-1-(1-phenylbut-3-enyl)imidazole
SMILESC=CCC(c1ccccc1)n1ccnc1C
InChIInChI=1S/C14H16N2/c1-3-7-14(13-8-5-4-6-9-13)16-11-10-15-12(16)2/h3-6,8-11,14H,1,7H2,2H3
InChIKeySJVYRXCTUBTZCS-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine
CID 62780394
2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079
1-methyl-2-(1-phenylbut-3-enyl)imidazole
CID 175452122
2-(hydroxymethyl)-3-(2-methylimidazol-1-yl)-3-phenylpropanal
CID 129306742
3-methyl-2-(2-methylimidazol-1-yl)-1-phenylbutan-1-amine
CID 16784760
N-methyl-2-phenyl-2-(2-phenylimidazol-1-yl)ethanamine
CID 62566802
(NZ)-N-[(2R)-2-(2-methylimidazol-1-yl)-1,2-diphenylethylidene]hydroxylamine
CID 92527041
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine
CID 62443341
3-[3-(3-imidazol-1-yl-3-phenylpropanoyl)oxyphenyl]-3-(2-methylimidazol-1-yl)propanoic acid
CID 146582382
2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine
CID 130367476
oct-1-en-4-ylbenzene
CID 22247233

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylbut-3-enyl)imidazole?
The IUPAC name of 2-methyl-1-(1-phenylbut-3-enyl)imidazole (CID 20595483) is 2-methyl-1-(1-phenylbut-3-enyl)imidazole.
What is the SMILES notation for 2-methyl-1-(1-phenylbut-3-enyl)imidazole?
The canonical SMILES for 2-methyl-1-(1-phenylbut-3-enyl)imidazole is C=CCC(c1ccccc1)n1ccnc1C.
What is the InChIKey of 2-methyl-1-(1-phenylbut-3-enyl)imidazole?
The InChIKey is SJVYRXCTUBTZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-7-14(13-8-5-4-6-9-13)16-11-10-15-12(16)2/h3-6,8-11,14H,1,7H2,2H3.
What are the key properties of 2-methyl-1-(1-phenylbut-3-enyl)imidazole?
2-methyl-1-(1-phenylbut-3-enyl)imidazole has a molecular weight of 212.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylbut-3-enyl)imidazole is sourced from PubChem (CID 20595483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).