N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine

C17H25N3O — CID 106556239

IUPACN-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3O/c1-13(12-21-5)20-11-10-18-16(20)19-15-8-6-14(7-9-15)17(2,3)4/h6-11,13H,12H2,1-5H3,(H,18,19)
InChIKeyJTYMRNYZWAGMIG-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.13
Rot. Bonds5

About N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine

N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 106556239) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID106556239
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3O/c1-13(12-21-5)20-11-10-18-16(20)19-15-8-6-14(7-9-15)17(2,3)4/h6-11,13H,12H2,1-5H3,(H,18,19)
InChIKeyJTYMRNYZWAGMIG-UHFFFAOYSA-N
XLogP4.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine (CID 106556239) is N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine is COCC(C)n1ccnc1Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is JTYMRNYZWAGMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(12-21-5)20-11-10-18-16(20)19-15-8-6-14(7-9-15)17(2,3)4/h6-11,13H,12H2,1-5H3,(H,18,19).
What are the key properties of N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106556239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).