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

C5H10N2 — CID 55286834

IUPAC(4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole
SMILESC[C@@H]1N=CN[C@H]1C
InChIInChI=1S/C5H10N2/c1-4-5(2)7-3-6-4/h3-5H,1-2H3,(H,6,7)/t4-,5-/m0/s1
InChIKeyYWKSINPSASCIMZ-WHFBIAKZSA-N
MW98.15 g/mol
LogP0.39
Rot. Bonds

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

(4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole (PubChem CID 55286834) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is (4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole
PubChem CID55286834
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name(4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole
SMILESC[C@@H]1N=CN[C@H]1C
InChIInChI=1S/C5H10N2/c1-4-5(2)7-3-6-4/h3-5H,1-2H3,(H,6,7)/t4-,5-/m0/s1
InChIKeyYWKSINPSASCIMZ-WHFBIAKZSA-N
XLogP0.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole (CID 55286834) is (4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole is C[C@@H]1N=CN[C@H]1C.
What is the InChIKey of (4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole?
The InChIKey is YWKSINPSASCIMZ-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10N2/c1-4-5(2)7-3-6-4/h3-5H,1-2H3,(H,6,7)/t4-,5-/m0/s1.
What are the key properties of (4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole?
(4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole has a molecular weight of 98.15 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-dimethyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 55286834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).