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

C13H19N3OS — CID 106559088

IUPACN-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
SMILESCOCCCNc1nccn1CCc1cccs1
InChIInChI=1S/C13H19N3OS/c1-17-10-3-6-14-13-15-7-9-16(13)8-5-12-4-2-11-18-12/h2,4,7,9,11H,3,5-6,8,10H2,1H3,(H,14,15)
InChIKeyZKIIWTDOLSYNTP-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.64
Rot. Bonds8

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

N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine (PubChem CID 106559088) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
PubChem CID106559088
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
SMILESCOCCCNc1nccn1CCc1cccs1
InChIInChI=1S/C13H19N3OS/c1-17-10-3-6-14-13-15-7-9-16(13)8-5-12-4-2-11-18-12/h2,4,7,9,11H,3,5-6,8,10H2,1H3,(H,14,15)
InChIKeyZKIIWTDOLSYNTP-UHFFFAOYSA-N
XLogP2.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.64
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

1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559064
N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine
CID 106577051
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106562539
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106569348
N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine
CID 106561408
N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208
1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106555590
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-thiophen-2-ylethyl)imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine (CID 106559088) is N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine is COCCCNc1nccn1CCc1cccs1.
What is the InChIKey of N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine?
The InChIKey is ZKIIWTDOLSYNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-17-10-3-6-14-13-15-7-9-16(13)8-5-12-4-2-11-18-12/h2,4,7,9,11H,3,5-6,8,10H2,1H3,(H,14,15).
What are the key properties of N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine?
N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine has a molecular weight of 265.38 g/mol, XLogP of 2.64, 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-thiophen-2-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106559088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).