4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine

C16H21N3O — CID 106560821

IUPAC4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H21N3O/c1-5-10-19-11-13(4)17-16(19)18-14-6-8-15(9-7-14)20-12(2)3/h5-9,11-12H,1,10H2,2-4H3,(H,17,18)
InChIKeyDFCBGNIATPFUSZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.91
Rot. Bonds6

About 4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine

4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine (PubChem CID 106560821) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine
PubChem CID106560821
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H21N3O/c1-5-10-19-11-13(4)17-16(19)18-14-6-8-15(9-7-14)20-12(2)3/h5-9,11-12H,1,10H2,2-4H3,(H,17,18)
InChIKeyDFCBGNIATPFUSZ-UHFFFAOYSA-N
XLogP3.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-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-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106561159
N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106555768
N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 107623858
1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
CID 106561131
N-(4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106558695
N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569082
4-methyl-N-phenyl-1-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581590
N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106576421
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
CID 106554780
1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557357
4-methyl-1-prop-2-enyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576478

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine (CID 106560821) is 4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine?
The InChIKey is DFCBGNIATPFUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-10-19-11-13(4)17-16(19)18-14-6-8-15(9-7-14)20-12(2)3/h5-9,11-12H,1,10H2,2-4H3,(H,17,18).
What are the key properties of 4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine?
4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106560821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).