methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate

C16H18N2O2 — CID 154708613

IUPACmethyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccccc2)c(C=C(C)C)n1
InChIInChI=1S/C16H18N2O2/c1-12(2)9-15-17-14(16(19)20-3)11-18(15)10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3
InChIKeyGVUQEALCOYVZTG-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.14
Rot. Bonds4

About methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate

methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate (PubChem CID 154708613) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate
PubChem CID154708613
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccccc2)c(C=C(C)C)n1
InChIInChI=1S/C16H18N2O2/c1-12(2)9-15-17-14(16(19)20-3)11-18(15)10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3
InChIKeyGVUQEALCOYVZTG-UHFFFAOYSA-N
XLogP3.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone
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methyl 1-benzyl-6-iminopyridine-3-carboxylate
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methyl 3-benzyltriazole-4-carboxylate
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methyl 6-(benzylamino)-2-chloropyrimidine-4-carboxylate
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1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate
CID 158099731

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate?
The IUPAC name of methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate (CID 154708613) is methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate is COC(=O)c1cn(Cc2ccccc2)c(C=C(C)C)n1.
What is the InChIKey of methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate?
The InChIKey is GVUQEALCOYVZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(2)9-15-17-14(16(19)20-3)11-18(15)10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3.
What are the key properties of methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate?
methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate is sourced from PubChem (CID 154708613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).