1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine

C14H21N3OS — CID 106559064

IUPAC1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1NCCc1cccs1
InChIInChI=1S/C14H21N3OS/c1-2-18-11-4-9-17-10-8-16-14(17)15-7-6-13-5-3-12-19-13/h3,5,8,10,12H,2,4,6-7,9,11H2,1H3,(H,15,16)
InChIKeyWCWWSKUSXHNJPO-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.03
Rot. Bonds9

About 1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine

1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine (PubChem CID 106559064) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine
PubChem CID106559064
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1NCCc1cccs1
InChIInChI=1S/C14H21N3OS/c1-2-18-11-4-9-17-10-8-16-14(17)15-7-6-13-5-3-12-19-13/h3,5,8,10,12H,2,4,6-7,9,11H2,1H3,(H,15,16)
InChIKeyWCWWSKUSXHNJPO-UHFFFAOYSA-N
XLogP3.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559088
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106577176
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine
CID 106561408
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767
1-propyl-3-(2-thiophen-2-ylethylamino)pyrazin-2-one
CID 62938256
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558812
N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
CID 106578003

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine (CID 106559064) is 1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine is CCOCCCn1ccnc1NCCc1cccs1.
What is the InChIKey of 1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine?
The InChIKey is WCWWSKUSXHNJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-18-11-4-9-17-10-8-16-14(17)15-7-6-13-5-3-12-19-13/h3,5,8,10,12H,2,4,6-7,9,11H2,1H3,(H,15,16).
What are the key properties of 1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine?
1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106559064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).