1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine

C17H25N3O — CID 106557357

IUPAC1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
SMILESCOCCCn1cc(C)nc1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)15-6-8-16(9-7-15)19-17-18-14(3)12-20(17)10-5-11-21-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyVSADZAXUQBWXGL-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.10
Rot. Bonds7

About 1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine

1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine (PubChem CID 106557357) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
PubChem CID106557357
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
SMILESCOCCCn1cc(C)nc1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)15-6-8-16(9-7-15)19-17-18-14(3)12-20(17)10-5-11-21-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyVSADZAXUQBWXGL-UHFFFAOYSA-N
XLogP4.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106579189
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557337
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine
CID 107587270
1-(2-methoxyethyl)-4-methyl-N-(4-methylsulfanylphenyl)imidazol-2-amine
CID 106556608
N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106555948
N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107795879
N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106578795
4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
CID 106572165
4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578539
1-(3-methoxypropyl)-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570758
1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine
CID 106569610
4-methyl-N-phenyl-1-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581590

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine (CID 106557357) is 1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine is COCCCn1cc(C)nc1Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine?
The InChIKey is VSADZAXUQBWXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)15-6-8-16(9-7-15)19-17-18-14(3)12-20(17)10-5-11-21-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of 1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine?
1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine is sourced from PubChem (CID 106557357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).