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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine
CID 106578670
N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563648
N-(cyclopropylmethyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106555195
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
N-(2-ethoxypropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106581219
1-(1-methoxypropan-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]imidazol-2-amine
CID 106571991
N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106557059
1-(1-methoxypropan-2-yl)-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554399
1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
CID 106570244
N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106575529
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106574060
N-[(3-methoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563491

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).