4-benzyl-2-ethyl-1-methylimidazole

C13H16N2 — CID 58611929

IUPAC4-benzyl-2-ethyl-1-methylimidazole
SMILESCCc1nc(Cc2ccccc2)cn1C
InChIInChI=1S/C13H16N2/c1-3-13-14-12(10-15(13)2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyOBTKYPCGUSRPMC-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.57
Rot. Bonds3

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

4-benzyl-2-ethyl-1-methylimidazole (PubChem CID 58611929) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 4-benzyl-2-ethyl-1-methylimidazole.

Molecular Properties

Compound Name4-benzyl-2-ethyl-1-methylimidazole
PubChem CID58611929
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name4-benzyl-2-ethyl-1-methylimidazole
SMILESCCc1nc(Cc2ccccc2)cn1C
InChIInChI=1S/C13H16N2/c1-3-13-14-12(10-15(13)2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyOBTKYPCGUSRPMC-UHFFFAOYSA-N
XLogP2.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-ethyl-1-methylimidazole?
The IUPAC name of 4-benzyl-2-ethyl-1-methylimidazole (CID 58611929) is 4-benzyl-2-ethyl-1-methylimidazole.
What is the SMILES notation for 4-benzyl-2-ethyl-1-methylimidazole?
The canonical SMILES for 4-benzyl-2-ethyl-1-methylimidazole is CCc1nc(Cc2ccccc2)cn1C.
What is the InChIKey of 4-benzyl-2-ethyl-1-methylimidazole?
The InChIKey is OBTKYPCGUSRPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-13-14-12(10-15(13)2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 4-benzyl-2-ethyl-1-methylimidazole?
4-benzyl-2-ethyl-1-methylimidazole has a molecular weight of 200.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-ethyl-1-methylimidazole is sourced from PubChem (CID 58611929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).