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

C17H25N3O — CID 106569610

IUPAC1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine
SMILESCCC(Nc1nc(C)cn1CCCOC)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-4-16(15-9-6-5-7-10-15)19-17-18-14(2)13-20(17)11-8-12-21-3/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3,(H,18,19)
InChIKeyARYHWKBBKMOXCG-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.79
Rot. Bonds8

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

1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine (PubChem CID 106569610) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine
PubChem CID106569610
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine
SMILESCCC(Nc1nc(C)cn1CCCOC)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-4-16(15-9-6-5-7-10-15)19-17-18-14(2)13-20(17)11-8-12-21-3/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3,(H,18,19)
InChIKeyARYHWKBBKMOXCG-UHFFFAOYSA-N
XLogP3.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine (CID 106569610) is 1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine is CCC(Nc1nc(C)cn1CCCOC)c1ccccc1.
What is the InChIKey of 1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine?
The InChIKey is ARYHWKBBKMOXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-16(15-9-6-5-7-10-15)19-17-18-14(2)13-20(17)11-8-12-21-3/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3,(H,18,19).
What are the key properties of 1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine?
1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.79, 8 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-(1-phenylpropyl)imidazol-2-amine is sourced from PubChem (CID 106569610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).