(2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole

C8H16N2 — CID 59864819

IUPAC(2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole
SMILESCCC1=C(C)N[C@H](C)N1C
InChIInChI=1S/C8H16N2/c1-5-8-6(2)9-7(3)10(8)4/h7,9H,5H2,1-4H3/t7-/m0/s1
InChIKeyBLOZHCMYEZBLNV-ZETCQYMHSA-N
MW140.23 g/mol
LogP1.51
Rot. Bonds1

About (2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole

(2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole (PubChem CID 59864819) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name(2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole
PubChem CID59864819
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole
SMILESCCC1=C(C)N[C@H](C)N1C
InChIInChI=1S/C8H16N2/c1-5-8-6(2)9-7(3)10(8)4/h7,9H,5H2,1-4H3/t7-/m0/s1
InChIKeyBLOZHCMYEZBLNV-ZETCQYMHSA-N
XLogP1.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole?
The IUPAC name of (2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole (CID 59864819) is (2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole.
What is the SMILES notation for (2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole?
The canonical SMILES for (2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole is CCC1=C(C)N[C@H](C)N1C.
What is the InChIKey of (2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole?
The InChIKey is BLOZHCMYEZBLNV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8-6(2)9-7(3)10(8)4/h7,9H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole?
(2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole has a molecular weight of 140.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethyl-2,3,5-trimethyl-1,2-dihydroimidazole is sourced from PubChem (CID 59864819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).