3-ethyl-5-propan-2-yl-1,2-dihydroimidazole

C8H16N2 — CID 89006278

IUPAC3-ethyl-5-propan-2-yl-1,2-dihydroimidazole
SMILESCCN1C=C(C(C)C)NC1
InChIInChI=1S/C8H16N2/c1-4-10-5-8(7(2)3)9-6-10/h5,7,9H,4,6H2,1-3H3
InChIKeySEPAAFDMUJGALC-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.37
Rot. Bonds2

About 3-ethyl-5-propan-2-yl-1,2-dihydroimidazole

3-ethyl-5-propan-2-yl-1,2-dihydroimidazole (PubChem CID 89006278) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethyl-5-propan-2-yl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-ethyl-5-propan-2-yl-1,2-dihydroimidazole
PubChem CID89006278
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-ethyl-5-propan-2-yl-1,2-dihydroimidazole
SMILESCCN1C=C(C(C)C)NC1
InChIInChI=1S/C8H16N2/c1-4-10-5-8(7(2)3)9-6-10/h5,7,9H,4,6H2,1-3H3
InChIKeySEPAAFDMUJGALC-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-propan-2-yl-1,2-dihydroimidazole?
The IUPAC name of 3-ethyl-5-propan-2-yl-1,2-dihydroimidazole (CID 89006278) is 3-ethyl-5-propan-2-yl-1,2-dihydroimidazole.
What is the SMILES notation for 3-ethyl-5-propan-2-yl-1,2-dihydroimidazole?
The canonical SMILES for 3-ethyl-5-propan-2-yl-1,2-dihydroimidazole is CCN1C=C(C(C)C)NC1.
What is the InChIKey of 3-ethyl-5-propan-2-yl-1,2-dihydroimidazole?
The InChIKey is SEPAAFDMUJGALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-10-5-8(7(2)3)9-6-10/h5,7,9H,4,6H2,1-3H3.
What are the key properties of 3-ethyl-5-propan-2-yl-1,2-dihydroimidazole?
3-ethyl-5-propan-2-yl-1,2-dihydroimidazole has a molecular weight of 140.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-propan-2-yl-1,2-dihydroimidazole is sourced from PubChem (CID 89006278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).