1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine

C16H23N3O2 — CID 106569649

IUPAC1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine
SMILESCCCOc1ccc(Nc2nccn2CCCOC)cc1
InChIInChI=1S/C16H23N3O2/c1-3-12-21-15-7-5-14(6-8-15)18-16-17-9-11-19(16)10-4-13-20-2/h5-9,11H,3-4,10,12-13H2,1-2H3,(H,17,18)
InChIKeyAXNJIXJAGZSMCY-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.45
Rot. Bonds9

About 1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine

1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine (PubChem CID 106569649) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine
PubChem CID106569649
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine
SMILESCCCOc1ccc(Nc2nccn2CCCOC)cc1
InChIInChI=1S/C16H23N3O2/c1-3-12-21-15-7-5-14(6-8-15)18-16-17-9-11-19(16)10-4-13-20-2/h5-9,11H,3-4,10,12-13H2,1-2H3,(H,17,18)
InChIKeyAXNJIXJAGZSMCY-UHFFFAOYSA-N
XLogP3.45
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.45
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-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106554175
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104
N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106563995
5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine
CID 114254404
1-butyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557363
N-(2-fluoro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106581649
1-octyl-N-phenylimidazol-2-amine
CID 106578848
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine
CID 106567628
N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106560415

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine (CID 106569649) is 1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine is CCCOc1ccc(Nc2nccn2CCCOC)cc1.
What is the InChIKey of 1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine?
The InChIKey is AXNJIXJAGZSMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-12-21-15-7-5-14(6-8-15)18-16-17-9-11-19(16)10-4-13-20-2/h5-9,11H,3-4,10,12-13H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine?
1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine has a molecular weight of 289.38 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine is sourced from PubChem (CID 106569649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).