1-benzyl-4-ethyl-2-methylimidazole

C13H16N2 — CID 156528930

IUPAC1-benzyl-4-ethyl-2-methylimidazole
SMILESCCc1cn(Cc2ccccc2)c(C)n1
InChIInChI=1S/C13H16N2/c1-3-13-10-15(11(2)14-13)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3
InChIKeyRTSBYCQYAUPMQX-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.80
Rot. Bonds3

About 1-benzyl-4-ethyl-2-methylimidazole

1-benzyl-4-ethyl-2-methylimidazole (PubChem CID 156528930) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-benzyl-4-ethyl-2-methylimidazole.

Molecular Properties

Compound Name1-benzyl-4-ethyl-2-methylimidazole
PubChem CID156528930
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-benzyl-4-ethyl-2-methylimidazole
SMILESCCc1cn(Cc2ccccc2)c(C)n1
InChIInChI=1S/C13H16N2/c1-3-13-10-15(11(2)14-13)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3
InChIKeyRTSBYCQYAUPMQX-UHFFFAOYSA-N
XLogP2.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-ethenyl-2-methylimidazole
CID 16665128
1-benzyl-5-chloro-2-methylpyrimidin-4-one
CID 145173710
1-benzyl-2-methyl-4-(trifluoromethyl)imidazole
CID 101096639
(1-benzyl-4-methylimidazol-2-yl)methanamine
CID 130214981
[2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 82284713
4-benzyl-1-dodecyl-2-methylimidazole
CID 174200825
2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 82288540
1-heptadecyl-2-methyl-4-(3-phenylpropyl)imidazole
CID 69405660
1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole
CID 123736359
1-benzyl-2-methylimidazole
CID 158634472
1-benzyl-3-ethyl-2-methylpyrrole
CID 135021751
1-benzyl-2-(4-methylphenyl)-4-phenylimidazole
CID 163216980

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethyl-2-methylimidazole?
The IUPAC name of 1-benzyl-4-ethyl-2-methylimidazole (CID 156528930) is 1-benzyl-4-ethyl-2-methylimidazole.
What is the SMILES notation for 1-benzyl-4-ethyl-2-methylimidazole?
The canonical SMILES for 1-benzyl-4-ethyl-2-methylimidazole is CCc1cn(Cc2ccccc2)c(C)n1.
What is the InChIKey of 1-benzyl-4-ethyl-2-methylimidazole?
The InChIKey is RTSBYCQYAUPMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-13-10-15(11(2)14-13)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 1-benzyl-4-ethyl-2-methylimidazole?
1-benzyl-4-ethyl-2-methylimidazole has a molecular weight of 200.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethyl-2-methylimidazole is sourced from PubChem (CID 156528930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).