N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine

C15H23N3OS — CID 106577051

IUPACN-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1CC(C)(C)c1cccs1
InChIInChI=1S/C15H23N3OS/c1-15(2,13-6-4-11-20-13)12-18-9-8-17-14(18)16-7-5-10-19-3/h4,6,8-9,11H,5,7,10,12H2,1-3H3,(H,16,17)
InChIKeyXTKJHZUBBSBRND-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.37
Rot. Bonds8

About N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine

N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine (PubChem CID 106577051) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine
PubChem CID106577051
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1CC(C)(C)c1cccs1
InChIInChI=1S/C15H23N3OS/c1-15(2,13-6-4-11-20-13)12-18-9-8-17-14(18)16-7-5-10-19-3/h4,6,8-9,11H,5,7,10,12H2,1-3H3,(H,16,17)
InChIKeyXTKJHZUBBSBRND-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.37
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

N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559088
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106569348
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563262
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106583274
N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208
1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine (CID 106577051) is N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine is COCCCNc1nccn1CC(C)(C)c1cccs1.
What is the InChIKey of N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine?
The InChIKey is XTKJHZUBBSBRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-15(2,13-6-4-11-20-13)12-18-9-8-17-14(18)16-7-5-10-19-3/h4,6,8-9,11H,5,7,10,12H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine?
N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine has a molecular weight of 293.44 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine is sourced from PubChem (CID 106577051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).