1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine

C16H23N3O2 — CID 106582958

IUPAC1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1-c1ccccc1CCOC
InChIInChI=1S/C16H23N3O2/c1-20-12-5-9-17-16-18-10-11-19(16)15-7-4-3-6-14(15)8-13-21-2/h3-4,6-7,10-11H,5,8-9,12-13H2,1-2H3,(H,17,18)
InChIKeyLSZPGXFCQNPFMG-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.51
Rot. Bonds9

About 1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine

1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106582958) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106582958
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1-c1ccccc1CCOC
InChIInChI=1S/C16H23N3O2/c1-20-12-5-9-17-16-18-10-11-19(16)15-7-4-3-6-14(15)8-13-21-2/h3-4,6-7,10-11H,5,8-9,12-13H2,1-2H3,(H,17,18)
InChIKeyLSZPGXFCQNPFMG-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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-(2-methoxyethyl)-1-[2-(2-methoxyethyl)phenyl]imidazol-2-amine
CID 106582959
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106560326
1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106566399
1-(2-ethylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106559461
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106576999
N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine
CID 106582260
1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 107605184
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106566922
N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559088
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine (CID 106582958) is 1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1-c1ccccc1CCOC.
What is the InChIKey of 1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is LSZPGXFCQNPFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-20-12-5-9-17-16-18-10-11-19(16)15-7-4-3-6-14(15)8-13-21-2/h3-4,6-7,10-11H,5,8-9,12-13H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine?
1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106582958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).