3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine

C17H25N3O — CID 43651267

IUPAC3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCC(C)CC(N)c1ncc(-c2ccc(OC(C)C)cc2)[nH]1
InChIInChI=1S/C17H25N3O/c1-11(2)9-15(18)17-19-10-16(20-17)13-5-7-14(8-6-13)21-12(3)4/h5-8,10-12,15H,9,18H2,1-4H3,(H,19,20)
InChIKeyGQMRHJJCDRQTLH-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.91
Rot. Bonds6

About 3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine

3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine (PubChem CID 43651267) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine
PubChem CID43651267
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCC(C)CC(N)c1ncc(-c2ccc(OC(C)C)cc2)[nH]1
InChIInChI=1S/C17H25N3O/c1-11(2)9-15(18)17-19-10-16(20-17)13-5-7-14(8-6-13)21-12(3)4/h5-8,10-12,15H,9,18H2,1-4H3,(H,19,20)
InChIKeyGQMRHJJCDRQTLH-UHFFFAOYSA-N
XLogP3.91
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-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

1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 43651303
1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine
CID 43651492
2-(2-chloroethyl)-5-(4-propan-2-yloxyphenyl)-1H-imidazole
CID 116878199
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651379
3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880162
1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine
CID 43649795
1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 82970486
1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62477508
2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol
CID 116881536
[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
CID 95457106
3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 62475459

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine (CID 43651267) is 3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine is CC(C)CC(N)c1ncc(-c2ccc(OC(C)C)cc2)[nH]1.
What is the InChIKey of 3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is GQMRHJJCDRQTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(2)9-15(18)17-19-10-16(20-17)13-5-7-14(8-6-13)21-12(3)4/h5-8,10-12,15H,9,18H2,1-4H3,(H,19,20).
What are the key properties of 3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine?
3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 43651267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).