1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine

C10H19N3OS — CID 106572575

IUPAC1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine
SMILESCOCCn1cc(C)nc1NCCSC
InChIInChI=1S/C10H19N3OS/c1-9-8-13(5-6-14-2)10(12-9)11-4-7-15-3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyVJIVBYGNKIVVNJ-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.61
Rot. Bonds7

About 1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine

1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine (PubChem CID 106572575) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine
PubChem CID106572575
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine
SMILESCOCCn1cc(C)nc1NCCSC
InChIInChI=1S/C10H19N3OS/c1-9-8-13(5-6-14-2)10(12-9)11-4-7-15-3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyVJIVBYGNKIVVNJ-UHFFFAOYSA-N
XLogP1.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidine
CID 91911381
1-(2-Methoxyethyl)-5-methyl-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820584
2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethan-1-amine
CID 86820595
N-{2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethyl}propane-1-sulfonamide
CID 91923947
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]ethanesulfonamide
CID 91923948
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine
CID 119123822
N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}propane-2-sulfonamide
CID 131937458
(2S)-N-[(1-ethylimidazol-4-yl)methyl]-3-methoxybutan-2-amine
CID 138020874
Trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-lambda4-sulfane
CID 132215758
1-(2-Methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazole
CID 146552717
Trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-lambda4-sulfane
CID 170633058
2-{[2-(4-Methyl-1H-imidazol-1-yl)ethyl]sulfanyl}ethan-1-ol
CID 71345702

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine (CID 106572575) is 1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine is COCCn1cc(C)nc1NCCSC.
What is the InChIKey of 1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine?
The InChIKey is VJIVBYGNKIVVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-9-8-13(5-6-14-2)10(12-9)11-4-7-15-3/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine?
1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine has a molecular weight of 229.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methyl-N-(2-methylsulfanylethyl)imidazol-2-amine is sourced from PubChem (CID 106572575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).