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

C12H23N3OS — CID 106579974

IUPACN-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine
SMILESCOCCNc1nc(C)cn1CCCCSC
InChIInChI=1S/C12H23N3OS/c1-11-10-15(7-4-5-9-17-3)12(14-11)13-6-8-16-2/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyHFOGPFMJFLTIPV-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.39
Rot. Bonds9

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

N-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine (PubChem CID 106579974) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine
PubChem CID106579974
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine
SMILESCOCCNc1nc(C)cn1CCCCSC
InChIInChI=1S/C12H23N3OS/c1-11-10-15(7-4-5-9-17-3)12(14-11)13-6-8-16-2/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyHFOGPFMJFLTIPV-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.39
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-{[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
2-{[2-(4-Methyl-1H-imidazol-1-yl)ethyl]sulfanyl}ethan-1-ol
CID 71345702
2-methoxy-N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]ethanamine
CID 66151602
1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine
CID 106558023
1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine
CID 106558031
N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine
CID 106558033

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine (CID 106579974) is N-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine is COCCNc1nc(C)cn1CCCCSC.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine?
The InChIKey is HFOGPFMJFLTIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-11-10-15(7-4-5-9-17-3)12(14-11)13-6-8-16-2/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine?
N-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-1-(4-methylsulfanylbutyl)imidazol-2-amine is sourced from PubChem (CID 106579974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).