(5S)-5-methyl-4,5-dihydro-1H-imidazole

C4H8N2 — CID 55299829

IUPAC(5S)-5-methyl-4,5-dihydro-1H-imidazole
SMILESC[C@H]1CN=CN1
InChIInChI=1S/C4H8N2/c1-4-2-5-3-6-4/h3-4H,2H2,1H3,(H,5,6)/t4-/m0/s1
InChIKeySTFIZEBRSSCPKA-BYPYZUCNSA-N
MW84.12 g/mol
LogP0.01
Rot. Bonds

About (5S)-5-methyl-4,5-dihydro-1H-imidazole

(5S)-5-methyl-4,5-dihydro-1H-imidazole (PubChem CID 55299829) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is (5S)-5-methyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(5S)-5-methyl-4,5-dihydro-1H-imidazole
PubChem CID55299829
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name(5S)-5-methyl-4,5-dihydro-1H-imidazole
SMILESC[C@H]1CN=CN1
InChIInChI=1S/C4H8N2/c1-4-2-5-3-6-4/h3-4H,2H2,1H3,(H,5,6)/t4-/m0/s1
InChIKeySTFIZEBRSSCPKA-BYPYZUCNSA-N
XLogP0.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (5S)-5-methyl-4,5-dihydro-1H-imidazole (CID 55299829) is (5S)-5-methyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (5S)-5-methyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (5S)-5-methyl-4,5-dihydro-1H-imidazole is C[C@H]1CN=CN1.
What is the InChIKey of (5S)-5-methyl-4,5-dihydro-1H-imidazole?
The InChIKey is STFIZEBRSSCPKA-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8N2/c1-4-2-5-3-6-4/h3-4H,2H2,1H3,(H,5,6)/t4-/m0/s1.
What are the key properties of (5S)-5-methyl-4,5-dihydro-1H-imidazole?
(5S)-5-methyl-4,5-dihydro-1H-imidazole has a molecular weight of 84.12 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 55299829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).