1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine

C16H25N3OS — CID 106577043

IUPAC1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine
SMILESCOCCCn1cc(C)nc1NCC(C)(C)c1cccs1
InChIInChI=1S/C16H25N3OS/c1-13-11-19(8-6-9-20-4)15(18-13)17-12-16(2,3)14-7-5-10-21-14/h5,7,10-11H,6,8-9,12H2,1-4H3,(H,17,18)
InChIKeyLOUHIFYAFMKQRI-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.68
Rot. Bonds8

About 1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine

1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine (PubChem CID 106577043) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine
PubChem CID106577043
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine
SMILESCOCCCn1cc(C)nc1NCC(C)(C)c1cccs1
InChIInChI=1S/C16H25N3OS/c1-13-11-19(8-6-9-20-4)15(18-13)17-12-16(2,3)14-7-5-10-21-14/h5,7,10-11H,6,8-9,12H2,1-4H3,(H,17,18)
InChIKeyLOUHIFYAFMKQRI-UHFFFAOYSA-N
XLogP3.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine (CID 106577043) is 1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine is COCCCn1cc(C)nc1NCC(C)(C)c1cccs1.
What is the InChIKey of 1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine?
The InChIKey is LOUHIFYAFMKQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-13-11-19(8-6-9-20-4)15(18-13)17-12-16(2,3)14-7-5-10-21-14/h5,7,10-11H,6,8-9,12H2,1-4H3,(H,17,18).
What are the key properties of 1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine?
1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine has a molecular weight of 307.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine is sourced from PubChem (CID 106577043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).