2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole

C9H16N2O — CID 58469139

IUPAC2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole
SMILESCCO[C@H](c1ncc[nH]1)C(C)C
InChIInChI=1S/C9H16N2O/c1-4-12-8(7(2)3)9-10-5-6-11-9/h5-8H,4H2,1-3H3,(H,10,11)/t8-/m0/s1
InChIKeyTZZLVYJBWHMMEE-QMMMGPOBSA-N
MW168.24 g/mol
LogP2.14
Rot. Bonds4

About 2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole

2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole (PubChem CID 58469139) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole
PubChem CID58469139
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole
SMILESCCO[C@H](c1ncc[nH]1)C(C)C
InChIInChI=1S/C9H16N2O/c1-4-12-8(7(2)3)9-10-5-6-11-9/h5-8H,4H2,1-3H3,(H,10,11)/t8-/m0/s1
InChIKeyTZZLVYJBWHMMEE-QMMMGPOBSA-N
XLogP2.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole?
The IUPAC name of 2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole (CID 58469139) is 2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole.
What is the SMILES notation for 2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole?
The canonical SMILES for 2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole is CCO[C@H](c1ncc[nH]1)C(C)C.
What is the InChIKey of 2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole?
The InChIKey is TZZLVYJBWHMMEE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-12-8(7(2)3)9-10-5-6-11-9/h5-8H,4H2,1-3H3,(H,10,11)/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole?
2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole has a molecular weight of 168.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-ethoxy-2-methylpropyl]-1H-imidazole is sourced from PubChem (CID 58469139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).