2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole

C11H18N4 — CID 158806320

IUPAC2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
SMILESCCc1ncc(C)[nH]1.CCc1ncc[nH]1
InChIInChI=1S/C6H10N2.C5H8N2/c1-3-6-7-4-5(2)8-6;1-2-5-6-3-4-7-5/h4H,3H2,1-2H3,(H,7,8);3-4H,2H2,1H3,(H,6,7)
InChIKeyIUCTYTMZBTYOQA-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.25
Rot. Bonds2

About 2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole

2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole (PubChem CID 158806320) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
PubChem CID158806320
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
SMILESCCc1ncc(C)[nH]1.CCc1ncc[nH]1
InChIInChI=1S/C6H10N2.C5H8N2/c1-3-6-7-4-5(2)8-6;1-2-5-6-3-4-7-5/h4H,3H2,1-2H3,(H,7,8);3-4H,2H2,1H3,(H,6,7)
InChIKeyIUCTYTMZBTYOQA-UHFFFAOYSA-N
XLogP2.25
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175233051
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2-ethyl-1H-imidazole;methyl(diphenyl)borane
CID 15753724
2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol
CID 160616138
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole?
The IUPAC name of 2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole (CID 158806320) is 2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole.
What is the SMILES notation for 2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole?
The canonical SMILES for 2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole is CCc1ncc(C)[nH]1.CCc1ncc[nH]1.
What is the InChIKey of 2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole?
The InChIKey is IUCTYTMZBTYOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C5H8N2/c1-3-6-7-4-5(2)8-6;1-2-5-6-3-4-7-5/h4H,3H2,1-2H3,(H,7,8);3-4H,2H2,1H3,(H,6,7).
What are the key properties of 2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole?
2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole has a molecular weight of 206.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole is sourced from PubChem (CID 158806320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).