5-ethyl-2-prop-1-en-2-yl-1H-imidazole

C8H12N2 — CID 174177216

IUPAC5-ethyl-2-prop-1-en-2-yl-1H-imidazole
SMILESC=C(C)c1ncc(CC)[nH]1
InChIInChI=1S/C8H12N2/c1-4-7-5-9-8(10-7)6(2)3/h5H,2,4H2,1,3H3,(H,9,10)
InChIKeySTCODXSZMPKYJO-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.01
Rot. Bonds2

About 5-ethyl-2-prop-1-en-2-yl-1H-imidazole

5-ethyl-2-prop-1-en-2-yl-1H-imidazole (PubChem CID 174177216) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-ethyl-2-prop-1-en-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-ethyl-2-prop-1-en-2-yl-1H-imidazole
PubChem CID174177216
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-ethyl-2-prop-1-en-2-yl-1H-imidazole
SMILESC=C(C)c1ncc(CC)[nH]1
InChIInChI=1S/C8H12N2/c1-4-7-5-9-8(10-7)6(2)3/h5H,2,4H2,1,3H3,(H,9,10)
InChIKeySTCODXSZMPKYJO-UHFFFAOYSA-N
XLogP2.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-prop-1-en-2-yl-1H-imidazole?
The IUPAC name of 5-ethyl-2-prop-1-en-2-yl-1H-imidazole (CID 174177216) is 5-ethyl-2-prop-1-en-2-yl-1H-imidazole.
What is the SMILES notation for 5-ethyl-2-prop-1-en-2-yl-1H-imidazole?
The canonical SMILES for 5-ethyl-2-prop-1-en-2-yl-1H-imidazole is C=C(C)c1ncc(CC)[nH]1.
What is the InChIKey of 5-ethyl-2-prop-1-en-2-yl-1H-imidazole?
The InChIKey is STCODXSZMPKYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-7-5-9-8(10-7)6(2)3/h5H,2,4H2,1,3H3,(H,9,10).
What are the key properties of 5-ethyl-2-prop-1-en-2-yl-1H-imidazole?
5-ethyl-2-prop-1-en-2-yl-1H-imidazole has a molecular weight of 136.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-prop-1-en-2-yl-1H-imidazole is sourced from PubChem (CID 174177216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).