(5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine

C8H18N2O2 — CID 97049680

IUPAC(5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine
SMILESC[C@@H]1N(O)C(C)(C)N(O)C1(C)C
InChIInChI=1S/C8H18N2O2/c1-6-7(2,3)10(12)8(4,5)9(6)11/h6,11-12H,1-5H3/t6-/m0/s1
InChIKeyXMDQKUIPRYXWEE-LURJTMIESA-N
MW174.24 g/mol
LogP1.29
Rot. Bonds

About (5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine

(5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine (PubChem CID 97049680) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine.

Molecular Properties

Compound Name(5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine
PubChem CID97049680
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine
SMILESC[C@@H]1N(O)C(C)(C)N(O)C1(C)C
InChIInChI=1S/C8H18N2O2/c1-6-7(2,3)10(12)8(4,5)9(6)11/h6,11-12H,1-5H3/t6-/m0/s1
InChIKeyXMDQKUIPRYXWEE-LURJTMIESA-N
XLogP1.29
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine?
The IUPAC name of (5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine (CID 97049680) is (5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine.
What is the SMILES notation for (5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine?
The canonical SMILES for (5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine is C[C@@H]1N(O)C(C)(C)N(O)C1(C)C.
What is the InChIKey of (5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine?
The InChIKey is XMDQKUIPRYXWEE-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6-7(2,3)10(12)8(4,5)9(6)11/h6,11-12H,1-5H3/t6-/m0/s1.
What are the key properties of (5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine?
(5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine has a molecular weight of 174.24 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,3-dihydroxy-2,2,4,4,5-pentamethylimidazolidine is sourced from PubChem (CID 97049680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).