1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine

C11H21N3OS — CID 106581332

IUPAC1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
SMILESCOCCn1cc(C)nc1NC(C)CSC
InChIInChI=1S/C11H21N3OS/c1-9-7-14(5-6-15-3)11(12-9)13-10(2)8-16-4/h7,10H,5-6,8H2,1-4H3,(H,12,13)
InChIKeyJCXJZXDTXSKQFL-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.00
Rot. Bonds7

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

1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine (PubChem CID 106581332) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
PubChem CID106581332
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
SMILESCOCCn1cc(C)nc1NC(C)CSC
InChIInChI=1S/C11H21N3OS/c1-9-7-14(5-6-15-3)11(12-9)13-10(2)8-16-4/h7,10H,5-6,8H2,1-4H3,(H,12,13)
InChIKeyJCXJZXDTXSKQFL-UHFFFAOYSA-N
XLogP2.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine
CID 106581346
3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 106567740
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
CID 106580909
N-[1-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106564579
1-(2-methoxyethyl)-4-methyl-N-(4-methylsulfanylphenyl)imidazol-2-amine
CID 106556608
N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571808
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581065
1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106564443
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567535
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
N-(1-methoxypropan-2-yl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-amine
CID 106566093
1-(2,2-dimethylbutyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583486

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine (CID 106581332) is 1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine is COCCn1cc(C)nc1NC(C)CSC.
What is the InChIKey of 1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine?
The InChIKey is JCXJZXDTXSKQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9-7-14(5-6-15-3)11(12-9)13-10(2)8-16-4/h7,10H,5-6,8H2,1-4H3,(H,12,13).
What are the key properties of 1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine?
1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine has a molecular weight of 243.38 g/mol, XLogP of 2.00, 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-(1-methylsulfanylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106581332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).