1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine

C17H25N3O — CID 62477508

IUPAC1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)c1ncc(-c2ccc(C(C)(C)C)cc2)[nH]1
InChIInChI=1S/C17H25N3O/c1-17(2,3)13-7-5-12(6-8-13)15-11-19-16(20-15)14(18)9-10-21-4/h5-8,11,14H,9-10,18H2,1-4H3,(H,19,20)
InChIKeyDYCNYWWYSICEJZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.41
Rot. Bonds5

About 1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine

1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine (PubChem CID 62477508) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
PubChem CID62477508
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)c1ncc(-c2ccc(C(C)(C)C)cc2)[nH]1
InChIInChI=1S/C17H25N3O/c1-17(2,3)13-7-5-12(6-8-13)15-11-19-16(20-15)14(18)9-10-21-4/h5-8,11,14H,9-10,18H2,1-4H3,(H,19,20)
InChIKeyDYCNYWWYSICEJZ-UHFFFAOYSA-N
XLogP3.41
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
The IUPAC name of 1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine (CID 62477508) is 1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine.
What is the SMILES notation for 1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
The canonical SMILES for 1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine is COCCC(N)c1ncc(-c2ccc(C(C)(C)C)cc2)[nH]1.
What is the InChIKey of 1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
The InChIKey is DYCNYWWYSICEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,3)13-7-5-12(6-8-13)15-11-19-16(20-15)14(18)9-10-21-4/h5-8,11,14H,9-10,18H2,1-4H3,(H,19,20).
What are the key properties of 1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine is sourced from PubChem (CID 62477508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).