4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine

C16H23N3O — CID 106582396

IUPAC4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NCCOCC(C)C)n1
InChIInChI=1S/C16H23N3O/c1-13(2)12-20-10-9-17-16-18-14(3)11-19(16)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,17,18)
InChIKeyBZNFMUNGFKRVAG-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.27
Rot. Bonds7

About 4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine

4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine (PubChem CID 106582396) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine
PubChem CID106582396
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NCCOCC(C)C)n1
InChIInChI=1S/C16H23N3O/c1-13(2)12-20-10-9-17-16-18-14(3)11-19(16)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,17,18)
InChIKeyBZNFMUNGFKRVAG-UHFFFAOYSA-N
XLogP3.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.27
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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Related Compounds

4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine
CID 106555123
N-(2-methoxy-2-methylpropyl)-4-methyl-1-phenylimidazol-2-amine
CID 106581312
1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582379
4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine
CID 106581417
1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582355
4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine
CID 106580561
4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine
CID 106579674
4-methyl-1-phenyl-N-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567558
N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine
CID 106574831
1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
CID 22457316
N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine
CID 103604297

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine?
The IUPAC name of 4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine (CID 106582396) is 4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine is Cc1cn(-c2ccccc2)c(NCCOCC(C)C)n1.
What is the InChIKey of 4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine?
The InChIKey is BZNFMUNGFKRVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)12-20-10-9-17-16-18-14(3)11-19(16)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine?
4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine is sourced from PubChem (CID 106582396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).