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

C14H16N2 — CID 175452122

IUPAC1-methyl-2-(1-phenylbut-3-enyl)imidazole
SMILESC=CCC(c1ccccc1)c1nccn1C
InChIInChI=1S/C14H16N2/c1-3-7-13(12-8-5-4-6-9-12)14-15-10-11-16(14)2/h3-6,8-11,13H,1,7H2,2H3
InChIKeyZNLQFLNSYTWVPB-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.13
Rot. Bonds4

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

1-methyl-2-(1-phenylbut-3-enyl)imidazole (PubChem CID 175452122) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-methyl-2-(1-phenylbut-3-enyl)imidazole.

Molecular Properties

Compound Name1-methyl-2-(1-phenylbut-3-enyl)imidazole
PubChem CID175452122
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-methyl-2-(1-phenylbut-3-enyl)imidazole
SMILESC=CCC(c1ccccc1)c1nccn1C
InChIInChI=1S/C14H16N2/c1-3-7-13(12-8-5-4-6-9-12)14-15-10-11-16(14)2/h3-6,8-11,13H,1,7H2,2H3
InChIKeyZNLQFLNSYTWVPB-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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

1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine
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2-(1-methylimidazol-2-yl)-2-phenylacetonitrile
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triethyl-[(1-methylimidazol-2-yl)-phenylmethoxy]silane
CID 102165928
2-methyl-1-(1-phenylbut-3-enyl)imidazole
CID 20595483
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 116834930
3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 115053222
1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
CID 12063609
2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 116773334
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine
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1-methyl-2-pentan-3-ylimidazole
CID 89261277

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-phenylbut-3-enyl)imidazole?
The IUPAC name of 1-methyl-2-(1-phenylbut-3-enyl)imidazole (CID 175452122) is 1-methyl-2-(1-phenylbut-3-enyl)imidazole.
What is the SMILES notation for 1-methyl-2-(1-phenylbut-3-enyl)imidazole?
The canonical SMILES for 1-methyl-2-(1-phenylbut-3-enyl)imidazole is C=CCC(c1ccccc1)c1nccn1C.
What is the InChIKey of 1-methyl-2-(1-phenylbut-3-enyl)imidazole?
The InChIKey is ZNLQFLNSYTWVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-7-13(12-8-5-4-6-9-12)14-15-10-11-16(14)2/h3-6,8-11,13H,1,7H2,2H3.
What are the key properties of 1-methyl-2-(1-phenylbut-3-enyl)imidazole?
1-methyl-2-(1-phenylbut-3-enyl)imidazole has a molecular weight of 212.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-phenylbut-3-enyl)imidazole is sourced from PubChem (CID 175452122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).